{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.6502491 12.2037978 -1.4367133 ] [ 0.1360266 -7.2658096 1.0546787 ] [ 46.1977683 40.8909091 -19.1408917 ] [ -7.0738075 -4.2322728 -2.3305287 ] [ -3.1226662 -0.3161332 -11.1039247 ] [ -34.8569583 -38.9165019 13.632853 ] [ -5.3313102 6.0265039 10.4099639 ] [ -6.5993017 -8.3904933 8.9145628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.706358011371624e-08 1.955263952013047e-08 -2.301868460052417e-09 ] [ 2.179386383269133e-10 -1.16411102723042e-08 1.689781555595737e-09 ] [ 7.401698430339536e-08 6.551445856327798e-08 -3.066708918300477e-08 ] [ -1.13334889965397e-08 -6.780848533007753e-09 -3.733918597243417e-09 ] [ -5.003062780202377e-09 -5.065012220986906e-10 -1.779044855346365e-08 ] [ -5.584700366046052e-08 -6.235110950749878e-08 2.184223835140314e-08 ] [ -8.541700560672573e-09 9.65552365374002e-09 1.667860078395199e-08 ] [ -1.05732468973457e-08 -1.344305220223904e-08 1.428270410281339e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.399166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.108089022821826e-18 } }