{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.225494e-11 3.437116e-11 1.4787664e-10 ] [ 2.1323685e-10 8.381188e-11 1.9315018e-10 ] [ 2.3260358e-10 2.8890002e-10 3.2740128e-10 ] [ 1.7136813e-10 7.01969e-11 4.4226802e-10 ] [ 4.073537400000001e-10 6.620885e-11 3.4991495e-10 ] [ 3.4382799e-10 2.1688579e-10 5.4466119e-10 ] [ 4.8326505e-10 3.0638202e-10 3.4665072e-10 ] ] "source-value" [ [ -0.1225494 0.3437116 1.4787664 ] [ 2.1323685 0.8381188 1.9315018 ] [ 2.3260358 2.8890002 3.2740128 ] [ 1.7136813 0.701969 4.4226802 ] [ 4.0735374 0.6620885 3.4991495 ] [ 3.4382799 2.1688579 5.4466119 ] [ 4.8326505 3.0638202 3.4665072 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.949334788867264e-11 2.1533253783552e-13 -4.93238083596384e-11 ] [ -9.646705433836801e-11 -5.909211899899393e-11 -5.8215087516768e-11 ] [ -1.2258653869896e-10 1.600657757363482e-10 7.610226796436545e-11 ] [ 7.682613136164288e-11 4.360147434078912e-11 2.903881038135168e-11 ] [ 9.55345875450624e-11 -1.837352116084128e-10 5.684827064156352e-11 ] [ -4.202477232825984e-11 -1.567986171712128e-11 -2.100661832829504e-11 ] [ 5.922429857020993e-11 5.462444949189313e-11 -3.344367456491712e-11 ] ] "source-value" [ [ 0.0184083 0.0001344 -0.0307855 ] [ -0.06021 -0.0368824 -0.036335 ] [ -0.0765125 0.0999052 0.0474993 ] [ 0.0479511 0.0272139 0.0181246 ] [ 0.059628 -0.1146785 0.0354819 ] [ -0.0262298 -0.0097866 -0.0131113 ] [ 0.0369649 0.0340939 -0.0208739 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.736007675339279e-18 "source-value" -23.318326 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.492621045042271e-09 -6.349275343628045e-10 -4.61871470802672e-10 ] [ 2.697312246197762e-09 -7.420801454559361e-10 2.659431503699202e-09 ] [ -1.69527077291626e-09 7.405564754895553e-10 7.595118270902401e-10 ] [ 3.985875931324452e-09 2.540621135077805e-09 -9.065426142750835e-10 ] [ -2.840381972123002e-09 -4.746134212502323e-09 -1.228144803668012e-09 ] [ -4.924541706193591e-09 -1.78051970699111e-09 2.074953466989809e-09 ] [ 5.269627318752909e-09 4.622484148962476e-09 -2.897338069251145e-09 ] ] "source-value" [ [ -1.5557717 -0.3962906 -0.2882775 ] [ 1.6835299 -0.46317 1.6598866 ] [ -1.0581048 0.462219 0.47405 ] [ 2.4877881 1.585731 -0.5658194 ] [ -1.772827 -2.962304 -0.7665477 ] [ -3.0736572 -1.111313 1.2950841 ] [ 3.2890427 2.8851277 -1.8083762 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.293501873569878e-18 "source-value" -20.556422 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 9.002094e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] "source-value" [ [ 0.09002094 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] } "instance-id" 1 }