{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7485877 -0.962685 -3.6282256 ] [ 0.3409196 -0.5216672 -3.1330967 ] [ -3.2371161 -0.4676221 3.4192184 ] [ 1.9943168 -0.5913341 -1.9421581 ] [ 5.3498057 -1.7738814 2.258003 ] [ -0.5391523 2.9817359 0.098687 ] [ -0.1601861 1.335454 2.927572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.005899573958444e-09 -1.542391400194848e-09 -5.813058231308053e-09 ] [ 5.462134126924877e-10 -8.358029916781977e-10 -5.019774283445631e-09 ] [ -5.186431734235275e-09 -7.492131959893996e-10 5.478191781889183e-09 ] [ 3.195247751428669e-09 -9.474216701018092e-10 -3.111680301717349e-09 ] [ 8.571333618362579e-09 -2.842071307151973e-09 3.617719616296262e-09 ] [ -8.638172101105479e-10 4.777267548380047e-09 1.581140041768896e-10 ] [ -2.566464243971309e-10 2.139633176953843e-09 4.690487414108698e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.075408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.017523245462129e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.408599 1.7306484 1.4188608 ] [ 1.0630589 3.1185536 5.056829 ] [ 2.0109254 1.3259488 3.7646233 ] [ 1.4093068 3.5083359 2.7095124 ] [ 4.2687062 1.6042537 2.9588166 ] [ 3.6862344 3.7171676 1.9372692 ] [ 3.3305944 3.3778029 4.3000766 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.408599e-10 1.7306484e-10 1.4188608e-10 ] [ 1.0630589e-10 3.1185536e-10 5.056828999999999e-10 ] [ 2.0109254e-10 1.3259488e-10 3.7646233e-10 ] [ 1.4093068e-10 3.5083359e-10 2.7095124e-10 ] [ 4.2687062e-10 1.6042537e-10 2.9588166e-10 ] [ 3.6862344e-10 3.7171676e-10 1.9372692e-10 ] [ 3.3305944e-10 3.3778029e-10 4.3000766e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.55e-05 -6.52e-05 4.8e-06 ] [ -4.07e-05 -1.02e-05 -0.0001061 ] [ 6.31e-05 2.12e-05 8.71e-05 ] [ -9.8e-06 6.36e-05 5.71e-05 ] [ -1.19e-05 -1.2e-06 -4.52e-05 ] [ 2.82e-05 5.78e-05 1.29e-05 ] [ -3.4e-06 -6.6e-05 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.08555038304e-14 -1.0446191567616e-13 7.69044777984e-15 ] [ -6.520858846656e-14 -1.634220153216e-14 -1.6999093946688e-13 ] [ 1.0109734477248e-13 3.396614436096001e-14 1.3954958367168e-13 ] [ -1.570133088384e-14 1.0189843308288e-13 9.148428504768e-14 ] [ -1.906590178752e-14 -1.92261194496e-15 -7.241838326016e-14 ] [ 4.518138070656001e-14 9.260580868224001e-14 2.066807840832e-14 ] [ -5.44740051072e-15 -1.057436569728e-13 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973336424062e-18 } }