{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5893356 -17.6726141 -18.5074546 ] [ -20.4928196 -13.3607271 6.1100503 ] [ -0.6732852 4.2358879 11.6931591 ] [ -8.0524492 27.6710862 -13.3230906 ] [ 4.8834234 -11.2053344 -0.6186777 ] [ 15.4441308 12.5517905 -10.1312761 ] [ 22.4803354 -2.220089 24.7772896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.177251579052514e-08 -2.831464913944044e-08 -2.965221107063742e-08 ] [ -3.283311645739201e-08 -2.140624459650899e-08 9.789379742572028e-09 ] [ -1.078721806570652e-09 6.786640561709609e-09 1.873450613331477e-08 ] [ -1.290144584841966e-08 4.433396738178152e-08 -2.134594427612025e-08 ] [ 7.824106800947647e-09 -1.7952924803926e-08 -9.912309467503161e-10 ] [ 2.47442252963372e-08 2.011018528827954e-08 -1.62320937062898e-08 ] [ 3.601746780562262e-08 -3.556974691895251e-09 3.969759412391099e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.7446225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.561260634802165e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1684949 -0.1939038 2.4816437 ] [ 0.7573136 1.1052572 3.8698489 ] [ 2.2247457 2.6580476 4.8842965 ] [ 2.8276142 4.135396 3.138554 ] [ 4.3179661 0.7309619 2.8251954 ] [ 4.2388358 2.8362299 1.7503951 ] [ 4.1925146 1.3654539 5.0991223 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1684949e-10 -1.939038e-11 2.4816437e-10 ] [ 7.573136e-11 1.1052572e-10 3.8698489e-10 ] [ 2.2247457e-10 2.6580476e-10 4.884296499999999e-10 ] [ 2.8276142e-10 4.135396e-10 3.138554e-10 ] [ 4.3179661e-10 7.309619000000001e-11 2.8251954e-10 ] [ 4.238835800000001e-10 2.8362299e-10 1.7503951e-10 ] [ 4.1925146e-10 1.3654539e-10 5.099122300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.28e-05 -8.3e-06 1.3e-06 ] [ 2.29e-05 9.1e-06 7.1e-06 ] [ -2.82e-05 3.39e-05 -1.27e-05 ] [ -5.1e-06 3.51e-05 1.99e-05 ] [ 1.45e-05 -2.28e-05 -2.9e-05 ] [ -2.12e-05 -1.21e-05 -1.77e-05 ] [ -5.7e-06 -3.48e-05 3.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.652962695424e-14 -1.329806595264e-14 2.08282960704e-15 ] [ 3.668984461632e-14 1.457980724928e-14 1.137545400768e-14 ] [ -4.518138070656001e-14 5.431378744512e-14 -2.034764308416e-14 ] [ -8.17110076608e-15 5.623639939008e-14 3.188331475392e-14 ] [ 2.32315610016e-14 -3.652962695424e-14 -4.64631220032e-14 ] [ -3.396614436096001e-14 -1.938633711168e-14 -2.835852618816e-14 ] [ -9.13240673856e-15 -5.575574640383999e-14 4.982769290688e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }