{ "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" [ [ -0.25294809999999995 1.3738714999999997 -0.8347639999999996 ] [ 0.3161205999999999 1.6579618999999999 -0.25727109999999986 ] [ 0.14258299999999996 -0.7368062999999999 -0.7201580999999997 ] [ -0.26152179999999997 -0.9243878999999999 -0.20757319999999993 ] [ -3.0031617999999995 4.401729799999999 3.575160799999998 ] [ 0.18501699999999996 -0.9570845999999998 1.1700956999999996 ] [ -0.15247309999999997 -0.6539809999999999 0.2658618999999999 ] [ 3.0263841999999994 -4.161303499999999 -2.9913520999999985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.052675320957804e-10 2.201184797283427e-09 -1.337439364685491e-09 ] [ 5.064810346732684e-10 2.656347794357148e-09 -4.121937416274987e-10 ] [ 2.284431491235263e-10 -1.180493827918151e-09 -1.153820471099748e-09 ] [ -4.190041137895334e-10 -1.481032681930408e-09 -3.325689281446424e-10 ] [ -4.811595624439645e-09 7.052348576638658e-09 5.728039049360622e-09 ] [ 2.964299118505535e-10 -1.53341857024772e-09 1.87469997463861e-09 ] [ -2.442888361209004e-10 -1.047793068647405e-09 4.259577205414673e-10 ] [ 4.84880201079851e-09 -6.667143179753211e-09 -4.792674399200981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.173012 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.552508143911785e-18 } }