{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6057186 -1.6561198 -0.6813384 ] [ 0.0543062 0.8782092 1.1478013 ] [ -1.8707413 -2.2353835 -2.6291263 ] [ 0.489473 4.6778541 -1.000157 ] [ -1.3487008 -2.1777505 -0.3569101 ] [ 0.0748671 1.5002529 2.713991 ] [ 2.2929149 -3.9186628 -0.6988564 ] [ 1.9135996 2.9316004 1.5045959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.572644800503707e-09 -2.653396424803971e-09 -1.091624455333279e-09 ] [ 8.700812400448896e-11 1.407046248411471e-09 1.838980408183847e-09 ] [ -2.997257974424999e-09 -3.581479182222077e-09 -4.212324690990407e-09 ] [ 7.842221971128383e-10 7.494748474533426e-09 -1.602428162529465e-09 ] [ -2.160856890214257e-09 -3.489140937035511e-09 -5.718330179473902e-10 ] [ 1.199503172870957e-10 2.4036701216674e-09 4.348292929261613e-09 ] [ 3.67365464626397e-09 -6.278389922958666e-09 -1.119691385376453e-09 ] [ 3.065924540692232e-09 4.696941622407928e-09 2.410628374731535e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.19843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.639410163486535e-18 } }