{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.5132201 -6.7513884 12.9419067 ] [ -523.471121 -125.796386 291.3074469 ] [ -295.1342334 92.9394206 -248.9401201 ] [ -58.7776784 -137.1051766 9.7914844 ] [ 819.7484957 73.038757 -98.8713725 ] [ 47.1213169 103.6747734 33.7706545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.684403545354464e-08 -1.081691665242032e-08 2.073522034331488e-08 ] [ -8.38693191730168e-07 -2.015480286303324e-07 4.667259808881175e-07 ] [ -4.728571687512105e-07 1.489053668360179e-07 -3.988460404033642e-07 ] [ -9.417222215738116e-08 -2.196667085391752e-07 1.568768738860792e-08 ] [ 1.31338187474651e-06 1.170209888776924e-07 -1.584094014859081e-07 ] [ 7.549667227848793e-08 1.661052981082177e-07 5.410655310901431e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 165.24117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.647455393676384e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.8432081 0.1627446 0.0519445 ] [ 0.0147406 2.4694493 0.0750736 ] [ -0.5378415 1.4555135 2.6333138 ] [ 1.7752362 -0.1032842 2.7858192 ] [ 2.8532463 2.9241768 0.1899219 ] [ 3.4912031 2.1009827 2.7963329 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8432081e-10 1.627446e-11 5.19445e-12 ] [ 1.47406e-12 2.4694493e-10 7.507360000000001e-12 ] [ -5.378415e-11 1.4555135e-10 2.6333138e-10 ] [ 1.7752362e-10 -1.032842e-11 2.7858192e-10 ] [ 2.8532463e-10 2.9241768e-10 1.899219e-11 ] [ 3.4912031e-10 2.1009827e-10 2.7963329e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.31e-05 -2.4e-05 -4.07e-05 ] [ 1.99e-05 1.5e-06 1.82e-05 ] [ -2.65e-05 6.3e-06 1.44e-05 ] [ -5e-06 8.4e-06 2.42e-05 ] [ -5.3e-06 1.28e-05 5.3e-06 ] [ -6.1e-06 -5e-06 -2.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.701027994048e-14 -3.84522388992e-14 -6.520858846656e-14 ] [ 3.188331475392e-14 2.4032649312e-15 2.915961449856e-14 ] [ -4.24576804512e-14 1.009371271104e-14 2.307134333952e-14 ] [ -8.010883104e-15 1.345828361472e-14 3.877267422336e-14 ] [ -8.491536090240001e-15 2.050786074624e-14 8.491536090240001e-15 ] [ -9.77327738688e-15 -8.010883104e-15 -3.428657968511999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }