{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.24346820000000005 3.8239075000000007 0.5089668000000002 ] [ 9.166986000000001 -9.563026100000002 -9.652923400000002 ] [ -8.304060100000001 9.080852300000002 10.927678500000003 ] [ 0.5112621000000002 -4.348878600000001 -0.22790130000000006 ] [ -1.4940943000000002 2.4353511000000005 4.069235400000001 ] [ -0.31456500000000004 -1.4923696000000002 1.8261680000000005 ] [ 0.5357557000000001 2.1392923000000006 -2.7066980000000003 ] [ 0.14218380000000003 -2.0751289000000006 -4.744526200000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.900790611620388e-10 6.126575247077355e-09 8.154547144417513e-10 ] [ 1.468713077340513e-08 -1.532165696775215e-08 -1.546568832127184e-08 ] [ -1.33045710595517e-08 1.454912937186516e-08 1.750807115656417e-08 ] [ 8.191321904697717e-10 -6.967671677022634e-09 -3.651381377182243e-10 ] [ -2.393802976452587e-09 3.901862628006197e-09 6.519633876125644e-09 ] [ -5.039886928742099e-10 -2.391039702411926e-09 2.925843699358512e-09 ] [ 8.583752640723138e-10 3.427524136356119e-09 -4.336608290894532e-09 ] [ 2.278035620933292e-10 -3.324723036118123e-09 -7.601569017040811e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.926512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.79475582635206e-18 } }