{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8761006 -2.2176469 -3.0573099 ] [ -6.0638998 3.203784 -2.0987669 ] [ -3.8487473 -3.6799497 3.4904271 ] [ -1.2116733 0.3843745 0.953365 ] [ 5.7275377 -1.5106761 0.1845102 ] [ 3.9982836 0.8923276 -2.5537247 ] [ 2.2745998 2.9277866 3.0814991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.403667898788852e-09 -3.553062016369596e-09 -4.898350444320386e-09 ] [ -9.715438490433796e-09 5.133027822893108e-09 -3.362595259688892e-09 ] [ -6.166372943427124e-09 -5.895929375059974e-09 5.592280696226744e-09 ] [ -1.941314633307585e-09 6.158358375316896e-10 1.527459114088992e-09 ] [ 9.176526997690604e-09 -2.420369929021323e-09 2.956179287391322e-10 ] [ 6.405956507248059e-09 1.429666418814574e-09 -4.091518010299494e-09 ] [ 3.644310621236356e-09 4.690831241211522e-09 4.937105815036241e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.491116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.321732726450081e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0878365 2.6193807 0.9981035 ] [ 1.6934949 4.9873564 1.8478235 ] [ 2.1690682 2.964066 3.5198923 ] [ 4.4703494 3.0769888 0.874208 ] [ 4.7006064 2.828263 3.2796679 ] [ 4.0810734 5.4640254 1.1014466 ] [ 3.6991401 5.1476987 3.5992224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0878365e-10 2.6193807e-10 9.981035000000001e-11 ] [ 1.6934949e-10 4.987356400000001e-10 1.8478235e-10 ] [ 2.1690682e-10 2.964066e-10 3.5198923e-10 ] [ 4.4703494e-10 3.0769888e-10 8.74208e-11 ] [ 4.7006064e-10 2.828263e-10 3.2796679e-10 ] [ 4.0810734e-10 5.4640254e-10 1.1014466e-10 ] [ 3.6991401e-10 5.1476987e-10 3.5992224e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 7.9e-06 3.8e-06 ] [ 7.9e-06 -6.8e-06 2.9e-06 ] [ -4.8e-06 -1.29e-05 5.6e-06 ] [ 6e-07 -7.4e-06 -9.1e-06 ] [ -8.1e-06 3.1e-06 -2e-07 ] [ 3.4e-06 6.1e-06 -2.8e-06 ] [ -1.9e-06 1e-05 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 1.265719530432e-14 6.08827115904e-15 ] [ 1.265719530432e-14 -1.089480102144e-14 4.646312200320001e-15 ] [ -7.69044777984e-15 -2.066807840832e-14 8.972189076479999e-15 ] [ 9.6130597248e-16 -1.185610699392e-14 -1.457980724928e-14 ] [ -1.297763062848e-14 4.96674752448e-15 -3.2043532416e-16 ] [ 5.44740051072e-15 9.77327738688e-15 -4.48609453824e-15 ] [ -3.04413557952e-15 1.6021766208e-14 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -17.482183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.800954488314721e-18 } }