{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6481997 3.3810675 -0.7872698 ] [ -5.6300571 -2.0349914 -2.3047214 ] [ 3.5195583 2.3552196 -2.0445971 ] [ 0.4622991 -3.7012957 5.1365883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.64070704750581e-09 5.417067346476794e-09 -1.261345278213853e-09 ] [ -9.020345933705802e-09 -3.260415671470947e-09 -3.692570774959767e-09 ] [ 5.638954070260762e-09 3.773477811058826e-09 -3.275805699564161e-09 ] [ 7.406848159392293e-10 -5.930129486064673e-09 8.22972175273778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4585266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.515423031058747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6844543 2.2129576 2.788623 ] [ 1.9067496 3.7473481 1.0899753 ] [ 3.921382 4.6872691 1.6787795 ] [ 3.6980041 3.1545361 3.3787063 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6844543e-10 2.2129576e-10 2.788623e-10 ] [ 1.9067496e-10 3.7473481e-10 1.0899753e-10 ] [ 3.921382e-10 4.6872691e-10 1.6787795e-10 ] [ 3.6980041e-10 3.1545361e-10 3.3787063e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.07e-05 0.0003289 2.83e-05 ] [ 0.0006724 -0.0006939 0.0010339 ] [ 0.0002034 0.0004504 2.75e-05 ] [ -0.0009065 -8.54e-05 -0.0010897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.91868226638e-14 5.269558949226e-13 4.53415987422e-14 ] [ 1.0773035687016e-12 -1.1117503663326e-12 1.6564904218926e-12 ] [ 3.258827273556e-13 7.216203559536e-13 4.4059857435e-14 ] [ -1.452373118721e-12 -1.368258845436e-13 -1.7458918780698e-12 ] ] } "relaxed-potential-energy" { "source-value" -11.601991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.858843888807829e-18 } }