{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0890105 -4.480381 -1.4861951 ] [ 0.5427 2.6598284 -1.8815537 ] [ 0.6858153 -2.9087197 2.481952 ] [ -2.5749378 -2.1493042 3.9695272 ] [ -1.1817723 1.7343918 -4.3304991 ] [ -0.6609943 4.1960472 2.5784729 ] [ 1.1001786 0.9481374 -1.3317043 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.346963783705719e-09 -7.178361690476526e-09 -2.381147043167518e-09 ] [ 8.695012521081599e-10 4.26151487781987e-09 -3.014581348919737e-09 ] [ 1.098797239846938e-09 -4.66028269980039e-09 3.976525468347802e-09 ] [ -4.125505143174186e-09 -3.443564940227248e-09 6.359883675469686e-09 ] [ -1.893407950169044e-09 2.77880199326723e-09 -6.938224414415441e-09 ] [ -1.059029613942061e-09 6.722808723613301e-09 4.131168997746376e-09 ] [ 1.762680431624475e-09 1.519083575586098e-09 -2.133625495278829e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.847369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.980987370019068e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6261701 2.4408287 3.6326347 ] [ 2.6925801 4.7173702 2.7634729 ] [ 6.0565188 2.9260747 1.7471949 ] [ 3.6363742 2.8868965 1.4596558 ] [ 4.7051995 1.333749 3.0045406 ] [ 4.8126546 5.0172696 1.5982095 ] [ 4.7208757 3.6872214 3.6387636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6261701e-10 2.4408287e-10 3.6326347e-10 ] [ 2.6925801e-10 4.7173702e-10 2.7634729e-10 ] [ 6.056518800000001e-10 2.9260747e-10 1.7471949e-10 ] [ 3.6363742e-10 2.8868965e-10 1.4596558e-10 ] [ 4.7051995e-10 1.333749e-10 3.0045406e-10 ] [ 4.812654600000001e-10 5.0172696e-10 1.5982095e-10 ] [ 4.7208757e-10 3.6872214e-10 3.6387636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.58e-05 1.41e-05 -1.59e-05 ] [ 1.73e-05 -1.22e-05 -3e-07 ] [ 1.61e-05 1.12e-05 -5.3e-06 ] [ -3.7e-06 4.8e-06 3.05e-05 ] [ -1.3e-05 -6.5e-06 4e-07 ] [ -1.11e-05 -4e-06 -5.4e-06 ] [ -2.14e-05 -7.4e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.531439060864e-14 2.259069035328e-14 -2.547460827072e-14 ] [ 2.771765553984e-14 -1.954655477376e-14 -4.8065298624e-16 ] [ 2.579504359488e-14 1.794437815296e-14 -8.491536090240001e-15 ] [ -5.928053496960001e-15 7.69044777984e-15 4.88663869344e-14 ] [ -2.08282960704e-14 -1.04141480352e-14 6.408706483200001e-16 ] [ -1.778416049088e-14 -6.4087064832e-15 -8.65175375232e-15 ] [ -3.428657968511999e-14 -1.185610699392e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }