{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.548942 0.5798232 -20.5824087 ] [ 27.4226884 -15.7588016 -9.4628874 ] [ -22.3587683 17.0523122 18.5277543 ] [ 14.4930071 1.4489048 -22.3926194 ] [ -15.5290088 -29.8536744 20.1685186 ] [ 18.5210235 26.5314357 13.7416426 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.612738769617519e-08 9.289791752374425e-10 -3.297665401889052e-08 ] [ 4.393599023396335e-08 -2.524838349534563e-08 -1.51612169575429e-08 ] [ -3.582269584014417e-08 2.732081593742261e-08 2.968473477538667e-08 ] [ 2.322035714070841e-08 2.3214013963249e-09 -3.587693128115253e-08 ] [ -2.488021484355746e-08 -4.783085916865547e-08 3.231352897708995e-08 ] [ 2.967395084498738e-08 4.250804599479848e-08 2.201653850510933e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 318.15718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.097439955356574e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.2746386 1.4746205 0.2885141 ] [ 2.0819915 -0.0615624 2.1536513 ] [ -0.0493319 2.6688562 3.121674 ] [ 3.1035709 1.4560661 -0.3247431 ] [ 2.0819915 -0.0615624 2.1536513 ] [ 2.6487702 2.7895796 2.611231 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.746386e-11 1.4746205e-10 2.885141e-11 ] [ 2.0819915e-10 -6.15624e-12 2.1536513e-10 ] [ -4.93319e-12 2.6688562e-10 3.121674e-10 ] [ 3.1035709e-10 1.4560661e-10 -3.247431e-11 ] [ 2.0819915e-10 -6.15624e-12 2.1536513e-10 ] [ 2.6487702e-10 2.7895796e-10 2.611231e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -13.2138836 0.8858891 -11.0715194 ] [ 2.4152497 2.427593606573216e+110 7.062090491849356e+110 ] [ -12.8458476 8.2649264 10.0603427 ] [ 9.9708407 2.8530151 -15.5072243 ] [ 2.4152497 -2.427593606573216e+110 -7.062090491849356e+110 ] [ 11.2583911 15.254953 6.7800645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.117097537389254e-08 1.419350804641553e-09 -1.773852953941364e-08 ] [ 3.869656602734214e-09 3.88943372125516e+101 1.131471628001501e+102 ] [ -2.058131669907979e-08 1.324187185071271e-08 1.611844587117595e-08 ] [ 1.597504785926111e-08 4.571034092009373e-09 -2.484531222696165e-08 ] [ 3.869656602734214e-09 -3.88943372125516e+101 -1.131471628001501e+102 ] [ 1.80379310082428e-08 2.444112904800282e-08 1.086286082941604e-08 ] ] } "relaxed-potential-energy" { "source-value" -5.8446402e+94 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.364145885427837e+75 } }