{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.876322 -1.6693008 -0.5916941 ] [ 1.3712723 -3.2324851 -3.3389848 ] [ -1.5140835 3.6421388 2.5626194 ] [ -2.0250218 11.376695 3.4901366 ] [ 2.610822 0.0642351 -4.2049901 ] [ 0.5508035 -12.6500798 1.2391377 ] [ 0.8825295 2.4687969 0.8437753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.006199241492698e-09 -2.674514714842737e-09 -9.479984536852974e-10 ] [ 2.197020419810644e-09 -5.179012054304349e-09 -5.349643383766564e-09 ] [ -2.425829185639037e-09 5.835349635068567e-09 4.105768890688523e-09 ] [ -3.244442584570334e-09 1.822747475097225e-08 5.591815263918401e-09 ] [ 4.182997969470298e-09 1.029159754547501e-10 -6.737136828915454e-09 ] [ 8.824844903548128e-10 -2.026766210681434e-08 1.985317452891884e-09 ] [ 1.413968132066314e-09 3.955448674683516e-09 1.351877058868506e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.085533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.615880518090689e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.679275 1.4200541 4.0874879 ] [ 2.5395864 4.543783 3.0315965 ] [ 2.4476343 3.4238101 1.1406218 ] [ 5.1903809 2.5137991 2.9570298 ] [ 3.7718577 1.945082 4.5655591 ] [ 5.0572078 4.483844 1.9762235 ] [ 3.3350349 4.0947186 5.0501455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.679275e-10 1.4200541e-10 4.0874879e-10 ] [ 2.5395864e-10 4.543783000000001e-10 3.0315965e-10 ] [ 2.4476343e-10 3.4238101e-10 1.1406218e-10 ] [ 5.190380900000001e-10 2.5137991e-10 2.9570298e-10 ] [ 3.7718577e-10 1.945082e-10 4.5655591e-10 ] [ 5.057207799999999e-10 4.483844000000001e-10 1.9762235e-10 ] [ 3.3350349e-10 4.0947186e-10 5.0501455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1715472 -0.4771198 0.2381187 ] [ 0.3816394 0.0550442 1.0880648 ] [ -0.1092416 0.0832658 -0.2466689 ] [ -0.3726071 0.2858597 0.3536444 ] [ -0.0160723 0.2411476 -0.5796187 ] [ 0.3214821 -0.4491299 -0.0412262 ] [ -0.3767478 0.2609325 -0.812314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.748489132037018e-10 -7.644301888807718e-10 3.815082141152889e-10 ] [ 6.114537242561396e-10 8.819053035063936e-11 1.743271984475428e-09 ] [ -1.750243375387853e-10 1.334065180722087e-10 -3.952071446584531e-10 ] [ -5.969823843640878e-10 4.579977281689018e-10 5.666007897568435e-10 ] [ -2.575066330248384e-11 3.863610468820301e-10 -9.286515301184891e-10 ] [ 5.150711046256877e-10 -7.195854254822419e-10 -6.605165380442495e-11 ] [ -6.036165170978344e-10 4.18059951106896e-10 -1.301470499548531e-09 ] ] } "relaxed-potential-energy" { "source-value" -13.730336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.199842333492859e-18 } }