{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.48473 -10.9161923 -0.3414636 ] [ -6.8573418 2.9476736 -3.8451056 ] [ -4.3341841 0.6115466 4.0316981 ] [ 6.205648 8.4811477 -3.7484972 ] [ 0.9688946 -5.803208 3.4069376 ] [ 3.6320185 -0.5226026 0.1454084 ] [ 3.8696948 5.201635 0.3510223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.583152935800384e-09 -1.748966809121698e-08 -5.470849967742029e-10 ] [ -1.098667271279459e-08 4.72269372766937e-09 -6.160538296827157e-09 ] [ -6.94412843526309e-09 9.798056650497295e-10 6.45949243794378e-09 ] [ 9.942544142514278e-09 1.358829656249169e-08 -6.005754576974262e-09 ] [ 1.552340276139368e-09 -9.297764183239527e-09 5.458515771244462e-09 ] [ 5.819135127013084e-09 -8.373016676892941e-10 2.329699389479347e-10 ] [ 6.199934538191332e-09 8.333937986935007e-09 5.62399722439444e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.430549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831375837070882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7418186 0.1963488 2.7310622 ] [ 1.4517004 2.2056478 2.5248556 ] [ 1.8930067 2.6638532 4.8868293 ] [ 3.1463595 3.8080988 1.9743886 ] [ 2.6695932 0.4321948 5.3262912 ] [ 4.7865263 1.1553417 3.987754 ] [ 4.0903434 3.4432019 4.1465942 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7418186e-10 1.963488e-11 2.7310622e-10 ] [ 1.4517004e-10 2.2056478e-10 2.5248556e-10 ] [ 1.8930067e-10 2.6638532e-10 4.886829299999999e-10 ] [ 3.1463595e-10 3.8080988e-10 1.9743886e-10 ] [ 2.6695932e-10 4.321948e-11 5.326291200000001e-10 ] [ 4.7865263e-10 1.1553417e-10 3.987754e-10 ] [ 4.0903434e-10 3.4432019e-10 4.1465942e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 6.6e-06 1.4e-06 ] [ -8e-07 -4.7e-06 6.1e-06 ] [ -9e-07 4.7e-06 7e-07 ] [ -1.6e-06 -1.7e-06 2.4e-06 ] [ -6.3e-06 1.9e-06 -6.3e-06 ] [ 5.5e-06 -8e-06 -7e-07 ] [ -2.3e-06 1.2e-06 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 1.057436569728e-14 2.24304726912e-15 ] [ -1.28174129664e-15 -7.53023011776e-15 9.77327738688e-15 ] [ -1.44195895872e-15 7.53023011776e-15 1.12152363456e-15 ] [ -2.56348259328e-15 -2.72370025536e-15 3.84522388992e-15 ] [ -1.009371271104e-14 3.04413557952e-15 -1.009371271104e-14 ] [ 8.8119714144e-15 -1.28174129664e-14 -1.12152363456e-15 ] [ -3.68500622784e-15 1.92261194496e-15 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }