{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4443757 0.8321185 -8.0223815 ] [ -24.832388 -14.0955436 19.3244376 ] [ 10.215969 7.347819 -14.4254727 ] [ -11.5705514 16.3756935 -13.2541193 ] [ -0.2117772 -2.8495168 7.9690571 ] [ -11.1302964 -7.7559933 12.4762764 ] [ 34.7561528 8.6792837 -5.9549421 ] [ -0.6714845 -8.5338611 1.8871446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.518498265257393e-09 1.333200817419129e-09 -1.285327218833387e-08 ] [ -3.978587182002199e-08 -2.258355059944824e-08 3.096116238791103e-08 ] [ 1.636778682546834e-08 1.177250391266124e-08 -2.311215529434489e-08 ] [ -1.853806709557598e-08 2.623675349124568e-08 -2.123544024670843e-08 ] [ -3.393044814539448e-10 -4.565429235150451e-09 1.27678370806318e-08 ] [ -1.783270082157432e-08 -1.242647123872055e-08 1.998919852740564e-08 ] [ 5.568549590389367e-08 1.390574554399706e-08 -9.540869089442891e-09 ] [ -1.075836775993173e-09 -1.367275285222154e-08 3.023538983099276e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.774661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.449991287147107e-18 } }