{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.3604217 35.6374625 21.9506342 ] [ -116.2820133 -94.5199097 78.1724566 ] [ -17.12026 -47.2222075 -39.0042366 ] [ 43.0679363 -2.7317757 19.2092141 ] [ -4.0898145 6.8030125 -19.3500887 ] [ 6.7214917 9.9451975 8.172849 ] [ 100.2465963 90.3708631 -68.232758 ] [ 0.8164853 1.7173573 -0.9180706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.140575529176899e-08 5.709750924213671e-08 3.516879292697291e-08 ] [ -1.863043231288147e-07 -1.514375895214672e-07 1.252460823550227e-07 ] [ -2.74296803140174e-08 -7.565831683906643e-08 -6.249167599267167e-08 ] [ 6.900244064596365e-08 -4.376787159809554e-09 3.077655373496172e-08 ] [ -6.552605175308842e-09 1.089962757851016e-08 -3.100225972554627e-08 ] [ 1.076901685864125e-08 1.593396292373861e-08 1.309434759312866e-08 ] [ 1.606127529066358e-07 1.447900840603374e-07 -1.093209296403042e-07 ] [ 1.308153658886874e-09 2.751509715620212e-09 -1.470911251563829e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.8119439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.411829050038117e-18 } }