{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1539442 -0.0310959 -2.545573 ] [ 0.974244 1.9882915 -0.6576581 ] [ 0.9214138 -0.0818983 0.806795 ] [ 1.0647285 -0.1385213 0.8342455 ] [ 0.5049693 -0.4240066 2.6279099 ] [ -0.7667375 -1.966051 -1.3221616 ] [ -2.6917835 0.5965997 -0.4866672 ] [ -1.1607788 0.056682 0.7431096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.848822434179823e-09 -4.982112439320059e-11 -4.078457580741281e-09 ] [ 1.560910972614696e-09 3.185594182880811e-09 -1.053684440980835e-09 ] [ 1.476267660605149e-09 -1.312155426243222e-10 1.29262809742803e-09 ] [ 1.705883124253869e-09 -2.219355901713042e-10 1.336608647119647e-09 ] [ 8.090500133473361e-10 -6.793334671817843e-10 4.210375838037276e-09 ] [ -1.228448906911575e-09 -3.149960973452334e-09 -2.118336421892054e-09 ] [ -4.312712627486739e-09 9.558580991914097e-10 -7.797268163742047e-10 ] [ -1.859772670602559e-09 9.081457596838799e-11 1.190592837621086e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.52064729230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.5308174482284e-18 } }