{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0195604 -4.9968736 -9.1277616 ] [ -7.4098202 -4.5732301 5.5440309 ] [ -7.6079723 12.1290223 -3.4110734 ] [ 5.3941816 -1.569649 -2.9447538 ] [ 7.0493918 -9.5030756 4.6903503 ] [ 3.773044 3.6188233 -2.1753755 ] [ 5.8207356 4.8949826 7.4245831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12465755611735e-08 -8.005874059012731e-09 -1.4624286235756e-08 ] [ -1.187184068877158e-08 -7.327122347758846e-09 8.882516692972784e-09 ] [ -1.2189315350754e-08 1.943283596222185e-08 -5.465142053312766e-09 ] [ 8.642431647869537e-09 -2.514854930662099e-09 -4.718015692371959e-09 ] [ 1.129437073281923e-08 -1.522560555201493e-08 7.514769594022268e-09 ] [ 6.045082886049716e-09 5.797994086066305e-09 -3.48533576756111e-09 ] [ 9.32584649417826e-09 7.842626680942797e-09 1.189549346200679e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.706609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.875605524864687e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1116185 2.4018055 1.6985285 ] [ 1.9997094 2.3835672 4.1962166 ] [ 2.1705554 4.6514823 2.7879219 ] [ 4.5360753 2.2326789 1.7203098 ] [ 4.4075178 1.7180319 4.0921586 ] [ 4.6237976 4.5890358 2.3093162 ] [ 3.984095 4.1113624 4.6786963 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1116185e-10 2.4018055e-10 1.6985285e-10 ] [ 1.9997094e-10 2.3835672e-10 4.1962166e-10 ] [ 2.1705554e-10 4.6514823e-10 2.7879219e-10 ] [ 4.536075300000001e-10 2.2326789e-10 1.7203098e-10 ] [ 4.4075178e-10 1.7180319e-10 4.0921586e-10 ] [ 4.6237976e-10 4.589035800000001e-10 2.3093162e-10 ] [ 3.984095e-10 4.1113624e-10 4.678696300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.98e-05 -1.6e-05 1.7e-06 ] [ 1.2e-06 3.81e-05 5.4e-06 ] [ -2.19e-05 1.55e-05 1.67e-05 ] [ -8.7e-06 -5e-06 -2e-06 ] [ -6e-06 1.47e-05 -4.05e-05 ] [ -1.78e-05 -3.72e-05 -6e-06 ] [ -6.8e-06 -1e-05 2.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.581016192383999e-14 -2.56348259328e-14 2.72370025536e-15 ] [ 1.92261194496e-15 6.104292925248e-14 8.65175375232e-15 ] [ -3.508766799552e-14 2.48337376224e-14 2.675634956736e-14 ] [ -1.393893660096e-14 -8.010883104e-15 -3.2043532416e-15 ] [ -9.6130597248e-15 2.355199632576e-14 -6.488815314240001e-14 ] [ -2.851874385024e-14 -5.960097029376001e-14 -9.6130597248e-15 ] [ -1.089480102144e-14 -1.6021766208e-14 3.957376253376001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }