{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5783833 -0.7693408 1.2747334 ] [ -0.1162599 0.1797719 0.6417961 ] [ 1.5669885 0.2196809 1.1661238 ] [ 0.1848832 -1.6962476 -1.644397 ] [ -0.5295585 0.1612951 -0.8957919 ] [ -0.4837736 1.0699655 1.5569914 ] [ 0.7739562 -0.2147295 -0.3586131 ] [ 0.1821475 1.0496045 -1.7408428 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.528848842755812e-09 -1.232619853342867e-09 2.042348068059375e-09 ] [ -1.862688952511766e-10 2.880263376297846e-10 1.028270715212327e-09 ] [ 2.510592360446708e-09 3.519676049160906e-10 1.868336304711289e-09 ] [ 2.962155430591488e-10 -2.717688270198578e-09 -2.634614450419698e-09 ] [ -8.48446255036089e-10 2.584232403986934e-10 -1.435216851106464e-09 ] [ -7.750907580660623e-10 1.714273723286127e-09 2.494575240418947e-09 ] [ 1.240014539379431e-09 -3.440345875305029e-10 -5.745615294663054e-10 ] [ 2.91832468441515e-10 1.681651804841253e-09 -2.789137657627135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.2597466015624761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.161599357843071e-20 } }