{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.048728 -13.8717662 -12.1404408 ] [ 28.7926587 5.4155218 -19.478767 ] [ 8.8668331 -8.0238973 34.2765869 ] [ -33.1221321 -1.8451068 -1.0965206 ] [ 32.5113683 18.3252485 -1.5608586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.935860583197834e-08 -2.222501949484366e-08 -1.945113041596645e-08 ] [ 4.613092461981372e-08 8.676622417392732e-09 -3.120842508941056e-08 ] [ 1.420623269335559e-08 -1.285570066176024e-08 5.491714617199955e-08 ] [ -5.306750568166921e-08 -2.956186977839101e-09 -1.756819669545588e-09 ] [ 5.208895420047825e-08 2.936028471705027e-08 -2.500771157294619e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0410524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.66794981630773e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7736749 2.7144327 2.7589382 ] [ 3.395457 3.0195176 2.5917802 ] [ 2.3096371 2.0780276 4.7656492 ] [ 0.520789 5.2228151 2.4586699 ] [ 3.0283185 5.514588 2.2986225 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.736749000000001e-11 2.7144327e-10 2.7589382e-10 ] [ 3.395457e-10 3.0195176e-10 2.5917802e-10 ] [ 2.3096371e-10 2.0780276e-10 4.765649200000001e-10 ] [ 5.207889999999999e-11 5.2228151e-10 2.4586699e-10 ] [ 3.0283185e-10 5.514588e-10 2.2986225e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.95e-05 -3.47e-05 2.8e-06 ] [ -1.38e-05 -5.14e-05 4e-07 ] [ 9.1e-06 6.97e-05 -4.46e-05 ] [ 7.7e-06 2.51e-05 -1.1e-06 ] [ -2.25e-05 -8.8e-06 4.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.12424441056e-14 -5.559552874176001e-14 4.48609453824e-15 ] [ -2.211003736704e-14 -8.235187830912e-14 6.408706483200001e-16 ] [ 1.457980724928e-14 1.1167171046976e-13 -7.145707728768e-14 ] [ 1.233675998016e-14 4.021463318208e-14 -1.76239428288e-15 ] [ -3.604897396800001e-14 -1.409915426304e-14 6.8092506384e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }