{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.10466000000000003 -0.8537962000000002 0.34197040000000006 ] [ -0.6735450000000001 0.4769238000000001 0.9202844000000002 ] [ -0.009454200000000001 0.17134030000000003 -0.8820919000000003 ] [ -0.22816060000000005 1.4193209000000002 -1.1437912000000001 ] [ -0.31135140000000006 -0.24755090000000005 0.3437740000000001 ] [ -1.5373152000000005 0.23872100000000004 -0.003421000000000001 ] [ 0.7111354000000001 -1.6358370000000004 -1.0052218000000002 ] [ 1.9440309000000005 0.4308781000000001 1.4284973000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.676838051329281e-10 -1.367932310567881e-09 5.478969798856244e-10 ] [ -1.079138052056736e-09 7.641161622630952e-10 1.474458150166956e-09 ] [ -1.514729820836736e-11 2.745174228608583e-10 -1.413267019577052e-09 ] [ -3.655535791077005e-10 2.274002763392815e-09 -1.832555519716777e-09 ] [ -4.988399339333493e-10 -3.966202644379988e-10 5.507866656388993e-10 ] [ -2.463050472240477e-09 3.824732050939969e-10 -5.481046219756801e-12 ] [ 1.139364512103256e-09 -2.62089979683961e-09 -1.610542866678494e-09 ] [ 3.114680858092784e-09 6.903428182347247e-10 2.288704976935924e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.128235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.705551739736829e-18 } }