{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0041362 -1.598687 1.9677088 ] [ -3.5873428 -0.3183358 0.7365382 ] [ 9.5047656 -15.8931299 13.7931405 ] [ 1.2502898 15.4507008 -13.5700045 ] [ 2.8364236 2.3594519 -2.9273831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602839313093895e-08 -2.56137893537689e-09 3.152617035902423e-09 ] [ -5.74755676495521e-09 -5.100301763236647e-10 1.180064284366114e-09 ] [ 1.522831323050408e-08 -2.546360115711744e-08 2.209904723650962e-08 ] [ 2.003185086784708e-09 2.475475159673586e-08 -2.17415439540508e-08 ] [ 4.544451578605371e-09 3.780258672082139e-09 -4.690184762945029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8006824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.487187863566034e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0576852 0.616082 2.4555321 ] [ 0.0205145 2.2884963 0.8442533 ] [ 2.2778386 0.1178561 2.9216811 ] [ 3.612778 1.4823229 1.5985326 ] [ 2.2176563 2.8238633 0.3145938 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.76852e-12 6.16082e-11 2.4555321e-10 ] [ 2.05145e-12 2.2884963e-10 8.442533e-11 ] [ 2.2778386e-10 1.178561e-11 2.9216811e-10 ] [ 3.612778e-10 1.4823229e-10 1.5985326e-10 ] [ 2.2176563e-10 2.8238633e-10 3.145938e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001067 -3.9e-06 1.5e-06 ] [ 3.8e-06 3.18e-05 -3.16e-05 ] [ -7.4e-05 -4.72e-05 4.95e-05 ] [ -2.91e-05 4.72e-05 -4.94e-05 ] [ -7.4e-06 -2.78e-05 3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7095224543936e-13 -6.24848882112e-15 2.4032649312e-15 ] [ 6.08827115904e-15 5.094921654144e-14 -5.062878121728e-14 ] [ -1.185610699392e-13 -7.562273650176e-14 7.930774272959999e-14 ] [ -4.662333966527999e-14 7.562273650176e-14 -7.914752506752001e-14 ] [ -1.185610699392e-14 -4.454051005824e-14 4.8065298624e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }