{ "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" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9402568 -53.0972125 -41.4239697 ] [ 1.5750984 -17.4135263 26.2532513 ] [ -23.1778402 56.8925506 27.5986079 ] [ 8.6522516 -22.907349 -5.1574669 ] [ 12.0102334 36.5255372 -7.2704226 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.506457462508221e-09 -8.507111249714953e-08 -6.63685157940676e-08 ] [ 2.523585831939487e-09 -2.789954472354593e-08 4.20623454528472e-08 ] [ -3.713499368907839e-08 9.115191446900102e-08 4.421784434400619e-08 ] [ 1.386243523079939e-08 -3.670161901230626e-08 -8.263172889729851e-09 ] [ 1.92425151638313e-08 5.85203617640007e-08 -1.164850111305595e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.826198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.336724753575172e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9342473 0.3924991 0.1237987 ] [ 0.2772577 0.678218 4.2677112 ] [ 0.0163703 0.2756108 2.1216083 ] [ 2.6934973 1.3515162 -0.7866987 ] [ 4.3361882 2.7915063 -0.5199529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.342473e-11 3.924991e-11 1.237987e-11 ] [ 2.772577e-11 6.78218e-11 4.2677112e-10 ] [ 1.63703e-12 2.756108e-11 2.1216083e-10 ] [ 2.6934973e-10 1.3515162e-10 -7.866987e-11 ] [ 4.3361882e-10 2.7915063e-10 -5.199529000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.030831 0.0210838 0.146576 ] [ -0.0825 -0.0168131 0.133227 ] [ 0.0148502 -0.054011 -0.1269744 ] [ 0.0757758 0.0779225 -0.0578812 ] [ 0.022705 -0.0281823 -0.0949475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.93967073958848e-11 3.377997143762304e-11 2.348406403703808e-10 ] [ -1.32179571216e-10 -2.693755574317248e-11 2.134531846593216e-10 ] [ 2.379264325420416e-11 -8.653516146602881e-11 -2.034354151201075e-10 ] [ 1.214062151824167e-10 1.24845607734288e-10 -9.273590542384896e-11 ] [ 3.6377420175264e-11 -4.515302218037184e-11 -1.52122664703408e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.028213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.766914503780263e-18 } }