{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.3708191 11.9478956 0.6091305 ] [ -4.0572268 -4.8786205 0.0849138 ] [ 9.4056171 9.5951021 -12.9628228 ] [ -14.3654403 23.4158813 -17.8602814 ] [ -4.7586821 -3.7143455 4.6533729 ] [ -8.2110725 -8.210373 9.1266751 ] [ 18.5169336 -15.7539551 13.8466867 ] [ -9.900948 -12.4015849 2.5023253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.14224137629661e-08 1.914263899807919e-08 9.759346461162145e-10 ] [ -6.500393924243197e-09 -7.816411706855608e-09 1.36046905143287e-10 ] [ 1.50694598218167e-08 1.537304825880898e-08 -2.07687316297332e-08 ] [ -2.301597259615814e-08 3.751637757428791e-08 -2.86153252999891e-08 ] [ -7.624249206439447e-09 -5.951037521673687e-09 7.455525268244296e-09 ] [ -1.315558839119381e-08 -1.315446766864756e-08 1.46225454708575e-08 ] [ 2.966739810282598e-08 -2.524061854635293e-08 2.21848377062823e-08 ] [ -1.586306740935652e-08 -1.986952938764631e-08 4.009167093296346e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5190522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.638143162214806e-19 } }