{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.181244 -7.3179364 -7.2719242 ] [ -5.694334 -3.9951541 11.6616746 ] [ -3.2082375 7.7465478 -0.6941602 ] [ 2.9838058 -7.9665516 -2.7387508 ] [ 6.8465846 10.2298842 -5.9714146 ] [ 5.253425 1.30321 5.0145752 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.903444624260276e-09 -1.172462661258132e-08 -1.165090694146974e-08 ] [ -9.123328805826547e-09 -6.400942495513265e-09 1.868406240349719e-08 ] [ -5.14016311647384e-09 1.241133777706967e-08 -1.112167243529852e-09 ] [ 4.78058389376744e-09 -1.276382272191683e-08 -4.387962501957297e-09 ] [ 1.096943777844932e-08 1.639008129873131e-08 -9.567260865223783e-09 ] [ 8.416914714126241e-09 2.087972593992768e-09 8.034235148683485e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.72301698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.158400901797421e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0773426 2.160695 1.427437 ] [ 1.5101344 3.3594644 4.8331952 ] [ 0.872226 4.2295114 2.6089493 ] [ 3.1277847 1.2973026 2.312433 ] [ 3.2313342 4.9316344 2.3791479 ] [ 3.7532524 3.0163801 3.8524357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0773426e-10 2.160695e-10 1.427437e-10 ] [ 1.5101344e-10 3.3594644e-10 4.8331952e-10 ] [ 8.72226e-11 4.2295114e-10 2.6089493e-10 ] [ 3.1277847e-10 1.2973026e-10 2.312433e-10 ] [ 3.2313342e-10 4.9316344e-10 2.3791479e-10 ] [ 3.7532524e-10 3.0163801e-10 3.8524357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 -2e-06 -5e-06 ] [ -4.3e-06 -1.2e-06 2.4e-06 ] [ -3.8e-06 4.5e-06 1.6e-06 ] [ 4.4e-06 -4.4e-06 6e-07 ] [ 2.2e-06 4.1e-06 -3.8e-06 ] [ 7.6e-06 -1.1e-06 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-15 -3.2043532416e-15 -8.010883104e-15 ] [ -6.889359469440001e-15 -1.92261194496e-15 3.84522388992e-15 ] [ -6.08827115904e-15 7.2097947936e-15 2.56348259328e-15 ] [ 7.04957713152e-15 -7.04957713152e-15 9.6130597248e-16 ] [ 3.52478856576e-15 6.568924145279999e-15 -6.08827115904e-15 ] [ 1.217654231808e-14 -1.76239428288e-15 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }