{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5666508999999995 -1.4385857999999998 6.457669599999999 ] [ -0.8672947999999999 -0.5565378999999999 0.46907449999999995 ] [ 0.23461499999999996 -4.194904499999999 -1.4009288999999998 ] [ 4.419516499999999 -0.32413889999999995 1.2781189999999998 ] [ -1.6815367999999997 2.1766041999999994 0.7619301999999999 ] [ -4.255830899999999 3.9752399999999994 -2.4208124999999994 ] [ -0.47930219999999996 -0.6448748999999999 -1.3778312999999998 ] [ 0.06318239999999999 1.0071977999999997 -3.7672205999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.112228065735278e-09 -2.304868535774865e-09 1.034632725797089e-08 ] [ -1.389559451901412e-09 -8.916720119691282e-10 7.515401973134495e-10 ] [ 3.75894667888992e-10 -6.720977916388712e-09 -2.244535530983061e-09 ] [ 7.080846011539842e-09 -5.193277674718291e-10 2.047772380400275e-09 ] [ -2.694118947974845e-09 3.487304361975087e-09 1.220746753121468e-09 ] [ -6.818592770058222e-09 6.369036590068991e-09 -3.878569190840399e-09 ] [ -7.679267791380057e-10 -1.033203488120738e-09 -2.207529096266471e-09 ] [ 1.012293641260339e-10 1.613708767681194e-09 -6.035752770716147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.925145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.275189755545002e-18 } }