{ "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" [ 5.56073 0 0 ] "si-unit" "m" "si-value" [ 5.56073e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.133996 5.45738 0 ] "si-unit" "m" "si-value" [ 1.33996e-11 5.45738e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.257535 0.146511 5.42452 ] "si-unit" "m" "si-value" [ 2.57535e-11 1.46511e-11 5.42452e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.021946 -0.143129 0.447254 ] [ 1.34917 1.36629 1.27067 ] [ 0.149131 2.79951 2.69143 ] [ 1.55983 4.18842 3.90967 ] [ 2.84034 0.059242 2.59602 ] [ 4.26988 1.39211 3.97128 ] [ 2.60434 2.82137 -0.639913 ] [ 3.66815 4.10108 1.28502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1946e-12 -1.43129e-11 4.47254e-11 ] [ 1.34917e-10 1.36629e-10 1.27067e-10 ] [ 1.49131e-11 2.79951e-10 2.69143e-10 ] [ 1.55983e-10 4.18842e-10 3.90967e-10 ] [ 2.84034e-10 5.9242e-12 2.59602e-10 ] [ 4.26988e-10 1.39211e-10 3.97128e-10 ] [ 2.60434e-10 2.82137e-10 -6.399129999999999e-11 ] [ 3.66815e-10 4.10108e-10 1.28502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.4370459 -25.6892205 -18.2523053 ] [ 26.781039 21.66265 11.8985495 ] [ -2.2209466 2.5211814 -0.9985572 ] [ -72.5780033 76.6707383 -53.0335792 ] [ -35.9886288 53.0554778 51.7843775 ] [ 6.9499744 -10.2339722 -5.5417771 ] [ 67.3142855 -62.7135979 65.7194421 ] [ 31.1793257 -55.273257 -51.5761503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.43459337599965e-08 -4.115866849167609e-08 -2.924341682736393e-08 ] [ 4.290795456653301e-08 3.470739137457312e-08 1.906357783033153e-08 ] [ -3.558348718565249e-09 4.039377895875813e-09 -1.59986500037151e-09 ] [ -1.162827800716053e-07 1.228400644037351e-07 -8.496916071158516e-08 ] [ -5.766013967800956e-08 8.500424613653342e-08 8.296771895318154e-08 ] [ 1.113508649883851e-08 -1.639663099675714e-08 -8.878905707304823e-09 ] [ 1.078493744739564e-07 -1.00478260361632e-07 1.052941536646393e-07 ] [ 4.99547866888486e-08 -8.855752012086994e-08 -8.263410220152691e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2443622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.800217887047255e-19 } }