{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 26.6897857 4.0549546 0.3916258 ] [ -30.1185584 65.9715767 46.6252204 ] [ -17.3162059 9.2543234 -21.7807969 ] [ 4.7447702 9.0480466 -13.3516351 ] [ -31.4877812 -9.5031275 2.9212371 ] [ 10.1620018 -12.3747838 31.7952308 ] [ 37.3259877 -66.45099 -46.6008821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.276175101500733e-08 6.496753512050817e-09 6.274537060315571e-10 ] [ -4.825525051824442e-08 1.056981186968788e-07 7.470183867998013e-08 ] [ -2.774362048251294e-08 1.482706071495943e-08 -3.489668386307963e-08 ] [ 7.601959948139506e-09 1.449656884586314e-08 -2.139167778291425e-08 ] [ -5.044898729514448e-08 -1.522568883042283e-08 4.68033782399392e-09 ] [ 1.628132183862594e-08 -1.982658945516173e-08 5.094157586039712e-08 ] [ 5.98028253339114e-08 -1.064662234841677e-07 -7.466284442440885e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.363817723632835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.98090198638396e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 26.6897857 4.0549546 0.3916258 ] [ -30.1185584 65.9715767 46.6252204 ] [ -17.3162059 9.2543234 -21.7807969 ] [ 4.7447702 9.0480466 -13.3516351 ] [ -31.4877812 -9.5031275 2.9212371 ] [ 10.1620018 -12.3747838 31.7952308 ] [ 37.3259877 -66.45099 -46.6008821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.276175101500733e-08 6.496753512050817e-09 6.274537060315571e-10 ] [ -4.825525051824442e-08 1.056981186968788e-07 7.470183867998013e-08 ] [ -2.774362048251294e-08 1.482706071495943e-08 -3.489668386307963e-08 ] [ 7.601959948139506e-09 1.449656884586314e-08 -2.139167778291425e-08 ] [ -5.044898729514448e-08 -1.522568883042283e-08 4.68033782399392e-09 ] [ 1.628132183862594e-08 -1.982658945516173e-08 5.094157586039712e-08 ] [ 5.98028253339114e-08 -1.064662234841677e-07 -7.466284442440885e-08 ] ] } "relaxed-potential-energy" { "source-value" 12.363817723632835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.98090198638396e-18 } }