{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3035162999999999 2.1684796999999993 -2.194108299999999 ] [ -0.10503319999999998 2.3004185999999995 0.42023029999999983 ] [ 1.5452948999999998 -0.5923053999999999 -1.0951444999999995 ] [ -0.038489499999999996 0.15131179999999997 0.5523593999999997 ] [ -0.4892271999999999 1.1029726999999998 2.237584599999999 ] [ -0.26984299999999994 -0.6223301999999998 0.5332352999999997 ] [ -0.41103719999999994 -2.6120817999999995 1.2479509999999996 ] [ 1.0718515999999998 -1.8964654999999997 -1.7021077999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.088463340691719e-09 3.474287478019397e-09 -3.515349021763231e-09 ] [ -1.682817374478105e-10 3.685676898973466e-09 6.732831620117699e-10 ] [ 2.475835361021474e-09 -9.489778642535922e-10 -1.754614914297705e-09 ] [ -6.16669770462816e-11 2.424282284111654e-10 8.84977316959115e-10 ] [ -7.838283820994456e-10 1.767157073320652e-09 3.585005733182118e-09 ] [ -4.323361458865343e-10 -9.97082896857788e-10 8.543371310452739e-10 ] [ -6.585541921190936e-10 -4.185016391577181e-09 1.99943791610398e-09 ] [ 1.717295574487073e-09 -3.038472686253782e-09 -2.727077323241321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.55395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485598524526921e-17 } }