{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 166.0383177 168.2266742 -40.011867 ] [ -1.5409644 -2.5189573 3.3918719 ] [ 184.8827013 203.6715863 -241.487184 ] [ -660.3609792 628.9669685 -383.7142051 ] [ 0.8565702 0.3262523 -0.1848987 ] [ -189.5054579 -201.3493324 234.4628818 ] [ 661.4990494 -622.9887284 382.6372399 ] [ -161.8692371 -174.3344632 44.9061613 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.660227107759028e-07 2.695288443981785e-07 -6.410607786195904e-08 ] [ -2.4688971351651e-09 -4.035814494853492e-09 5.434377858928475e-09 ] [ 2.962147416132098e-07 3.263178538911096e-07 -3.869051204276278e-07 ] [ -1.058014922162835e-06 1.00771617218615e-06 -6.147779284800762e-07 ] [ 1.37237674851398e-09 5.227138075422278e-10 -2.96240374356313e-10 ] [ -3.036212141613786e-07 -3.22597192984968e-07 3.756509476653538e-07 ] [ 1.059838311630104e-06 -9.98137975664401e-07 6.130524400152209e-07 ] [ -2.59343107308352e-07 -2.793146011387579e-07 7.194760176473374e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 115.52554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.850923192932953e-17 } }