{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5781407 1.41988 3.6875727 ] [ 2.8349357 6.0457961 -5.9130343 ] [ 1.5864908 -7.6065767 -2.5594309 ] [ -4.3151694 -1.7807228 4.790547 ] [ -1.51994 -1.5787747 -0.6577191 ] [ 0.4135481 1.7493095 2.6508676 ] [ -0.578006 1.7510887 -1.998803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.528460133872947e-09 2.274898540341504e-09 5.908142767440332e-09 ] [ 4.542067700011283e-09 9.686433165543819e-09 -9.473725313448494e-09 ] [ 2.541838468874289e-09 -1.218707935306201e-08 -4.100660350533103e-09 ] [ -6.913663527471564e-09 -2.853032438285514e-09 7.675302404243579e-09 ] [ -2.435212333018752e-09 -2.529475913850534e-09 -1.053782165073617e-09 ] [ 6.625770973962604e-10 2.802702783443338e-09 4.247158093556207e-09 ] [ -9.260676998821249e-10 2.805553376087065e-09 -3.202435436184902e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7309123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.559064018611516e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1522519 4.3472704 1.9813489 ] [ 2.2038515 0.9190478 1.933841 ] [ 0.5895969 2.3302295 2.4531177 ] [ 4.1446246 1.307702 0.9711601 ] [ 5.7268227 3.1389338 5.5883161 ] [ 5.5163381 2.956949 1.4650283 ] [ 5.96462 3.7304465 3.4793888 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.522519e-11 4.347270400000001e-10 1.9813489e-10 ] [ 2.2038515e-10 9.190478e-11 1.933841e-10 ] [ 5.895969e-11 2.3302295e-10 2.4531177e-10 ] [ 4.1446246e-10 1.307702e-10 9.711601000000001e-11 ] [ 5.7268227e-10 3.138933800000001e-10 5.588316100000001e-10 ] [ 5.5163381e-10 2.956949e-10 1.4650283e-10 ] [ 5.96462e-10 3.7304465e-10 3.4793888e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1325201 0.0496786 0.076979 ] [ -0.7100519 0.3976361 0.0570867 ] [ 0.4173467 -0.5002894 -0.1868288 ] [ 0.0569402 -0.0723842 -0.1066708 ] [ 0.1127471 0.2412173 -0.3118538 ] [ 0.2635385 0.0948458 0.3462618 ] [ -0.0080005 -0.2107043 0.1250258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.123206060060781e-10 7.959389147407487e-11 1.233339540925632e-10 ] [ -1.137628553734619e-09 6.370832630060909e-10 9.146297609862336e-11 ] [ 6.686631255080314e-10 -8.015519803140595e-10 -2.993327354521191e-10 ] [ 9.122825722367616e-11 -1.159722729553113e-10 -1.709054618820327e-10 ] [ 1.806407676829997e-10 3.864727185924998e-10 -4.996448674676391e-10 ] [ 4.222352233807008e-10 1.519597233410726e-10 5.547725606361254e-10 ] [ -1.28182140547104e-11 -3.375855033620295e-10 2.003134137568166e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.048503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.571253630543866e-18 } }