{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3952627 -7.5513855 -0.7570571 ] [ -5.6941932 2.2292444 -2.5579965 ] [ -2.964531 0.3026825 2.4310984 ] [ 4.2360888 5.5347757 -2.9161466 ] [ 0.6420317 -4.5322169 2.6132233 ] [ 3.0574902 -0.6517474 0.4659177 ] [ 3.1183761 4.6686473 0.7209608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.837633898614284e-09 -1.209865330274812e-08 -1.212939186230648e-09 ] [ -9.123103219358339e-09 3.571643259729323e-09 -4.098362188388227e-09 ] [ -4.749702259836845e-09 4.84950825025296e-10 3.895049019344287e-09 ] [ 6.786962438992727e-09 8.867688227911956e-09 -4.67218190534541e-09 ] [ 1.028648179552479e-09 -7.261411957574651e-09 4.186845276189824e-09 ] [ 4.898639316765117e-09 -1.044214446947186e-09 7.464824461569082e-10 ] [ 4.996189282281483e-09 7.479997554821043e-09 1.155106538273264e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8860023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.430415275035028e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1070214 0.0310778 2.6523663 ] [ 1.3655559 2.2897708 2.5214105 ] [ 1.9162459 2.57343 4.8737745 ] [ 3.2770632 3.5888529 1.9494532 ] [ 2.9877374 0.389913 4.8350672 ] [ 5.0924922 1.4626674 4.538723 ] [ 4.0332321 3.5689751 4.2069803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1070214e-10 3.10778e-12 2.6523663e-10 ] [ 1.3655559e-10 2.2897708e-10 2.5214105e-10 ] [ 1.9162459e-10 2.57343e-10 4.873774499999999e-10 ] [ 3.2770632e-10 3.5888529e-10 1.9494532e-10 ] [ 2.9877374e-10 3.89913e-11 4.8350672e-10 ] [ 5.0924922e-10 1.4626674e-10 4.538723e-10 ] [ 4.0332321e-10 3.5689751e-10 4.2069803e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 -2e-06 -1.35e-05 ] [ -1.63e-05 9.8e-06 -4.8e-06 ] [ 5.8e-06 1.9e-06 1.12e-05 ] [ 1.28e-05 1.15e-05 -1.95e-05 ] [ 8.4e-06 -7.7e-06 2.42e-05 ] [ 5.5e-06 1.1e-06 3.7e-06 ] [ -1.7e-05 -1.45e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 -3.2043532416e-15 -2.16293843808e-14 ] [ -2.611547891904e-14 1.570133088384e-14 -7.69044777984e-15 ] [ 9.292624400640001e-15 3.04413557952e-15 1.794437815296e-14 ] [ 2.050786074624e-14 1.84250311392e-14 -3.12424441056e-14 ] [ 1.345828361472e-14 -1.233675998016e-14 3.877267422336e-14 ] [ 8.8119714144e-15 1.76239428288e-15 5.928053496960001e-15 ] [ -2.72370025536e-14 -2.32315610016e-14 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }