{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8209547 -3.9509499 -3.2766521 ] [ 2.2144049 -0.6984065 9.8480931 ] [ -5.272548 -9.3585604 -7.7861456 ] [ 0.1501259 -0.3536234 14.3618041 ] [ 1.6150837 3.3122694 -11.9704987 ] [ 2.7254901 4.5953279 8.2712969 ] [ 3.2811874 2.7972657 -7.5900465 ] [ -0.8927893 3.6566772 -1.8578512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.121844289475878e-09 -6.330119559732098e-09 -5.249775389115224e-09 ] [ 3.547867759764962e-09 -1.118970566114755e-09 1.57783845242818e-08 ] [ -8.447553137645797e-09 -1.49940666772247e-08 -1.247478044646479e-08 ] [ 2.405282071565587e-10 -5.665671440478068e-10 2.301014676152959e-08 ] [ 2.587649344775161e-09 5.306840594471244e-09 -1.917885315645679e-08 ] [ 4.366716518441855e-09 7.362526926289961e-09 1.325207851687552e-08 ] [ 5.257041740743538e-09 4.481713706705747e-09 -1.216059505308487e-08 ] [ -1.430406143760397e-09 5.858642719652405e-09 -2.976605757565225e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.14481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.188860333725805e-18 } }