{ "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" [ [ 1.569029 2.409456 2.459016 ] [ 1.280031 0.1374919 2.779238 ] [ 3.588101 1.133333 2.932926 ] [ 4.931515 2.722575 2.426382 ] [ 3.330231 3.38172 3.93095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.569029e-10 2.409456e-10 2.459016e-10 ] [ 1.280031e-10 1.374919e-11 2.779238e-10 ] [ 3.588101e-10 1.133333e-10 2.932926e-10 ] [ 4.931515000000001e-10 2.722575e-10 2.426382e-10 ] [ 3.330231e-10 3.38172e-10 3.93095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5195206 0.8010018 0.3033082 ] [ 0.3667629 -0.1496394 0.0940498 ] [ -1.6298248 -2.0826915 0.5789949 ] [ 1.7795832 1.5222151 -1.036857 ] [ -1.036042 -0.0908861 0.060504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.323637593439884e-10 1.283346357178718e-09 4.859533069369306e-10 ] [ 5.876189437568083e-10 -2.397487482305395e-10 1.506843907509159e-10 ] [ -2.611267190560036e-09 -3.336839629638884e-09 9.276520923424338e-10 ] [ 2.851206597808451e-09 2.438857445048734e-09 -1.661228044512826e-09 ] [ -1.659922270566874e-09 -1.456155845756909e-10 9.69380942648832e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -15.111621 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421148586859032e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8805992 2.8605382 1.887528 ] [ 1.6569489 0.8215689 3.1065358 ] [ 4.0302344 0.6834766 3.3110808 ] [ 4.2538897 2.7223499 2.0919338 ] [ 2.8772348 2.6966422 4.1314337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8805992e-10 2.8605382e-10 1.887528e-10 ] [ 1.6569489e-10 8.215689e-11 3.1065358e-10 ] [ 4.0302344e-10 6.834766e-11 3.3110808e-10 ] [ 4.2538897e-10 2.7223499e-10 2.0919338e-10 ] [ 2.8772348e-10 2.6966422e-10 4.1314337e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.69e-05 -4.36e-05 -5e-07 ] [ 1.61e-05 4.24e-05 2.42e-05 ] [ -1.18e-05 -7.52e-05 -1.29e-05 ] [ 4.4e-06 6.65e-05 -7e-06 ] [ -2.55e-05 9.8e-06 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.707678489152e-14 -6.985490066688e-14 -8.010883104e-16 ] [ 2.579504359488e-14 6.793228872192001e-14 3.877267422336e-14 ] [ -1.890568412544e-14 -1.2048368188416e-13 -2.066807840832e-14 ] [ 7.04957713152e-15 1.065447452832e-13 -1.12152363456e-14 ] [ -4.08555038304e-14 1.570133088384e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }