{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9043442 -1.962121 -4.554781 ] [ 0.2074023 -0.8947757 2.154022 ] [ -0.0908422 -1.4518673 -0.2159596 ] [ -1.8499357 3.0144686 5.909643 ] [ -0.7393536 1.4139252 -1.1620184 ] [ -0.9526275 1.1230038 0.5615127 ] [ 1.0502938 -0.7705761 -2.539183 ] [ -1.5292812 -0.4720574 -0.1532357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.255449048333422e-09 -3.143664419280714e-09 -7.297563691187153e-09 ] [ 3.322951188978582e-10 -1.433588719210993e-09 3.451123717521948e-09 ] [ -1.455452502211548e-10 -2.326147863728668e-09 -3.460054250079864e-10 ] [ -2.963923752942433e-09 4.829711154846691e-09 9.468291929881661e-09 ] [ -1.184575062183782e-09 2.265357917663776e-09 -1.861758728758065e-09 ] [ -1.526277521405835e-09 1.799250448253209e-09 8.996425276342517e-10 ] [ 1.682756185195069e-09 -1.234599022138847e-09 -4.068219672050021e-09 ] [ -2.450178605455481e-09 -7.563193361867916e-10 -2.455106580346338e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.020317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771091024667297e-18 } }