{ "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" [ [ -0.11265449999999999 0.29614539999999995 -0.2660324999999999 ] [ -0.037572499999999995 0.30418249999999997 0.02179639999999999 ] [ 0.19021899999999997 -0.13583029999999996 -0.09584409999999996 ] [ -0.03349389999999999 -0.020474599999999996 0.09314839999999996 ] [ -0.3732097999999999 0.41143289999999993 0.5921094999999997 ] [ -0.014237699999999999 -0.016915099999999995 0.10031889999999996 ] [ -0.05604449999999999 -0.35259389999999996 0.09984249999999996 ] [ 0.43699389999999994 -0.48594699999999996 -0.5453390999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.804924061279136e-10 4.744772362374643e-10 -4.262310518729759e-10 ] [ -6.0197781085008e-11 4.87354089956496e-10 3.49216824976051e-11 ] [ 3.047644346319552e-10 -2.176241310562502e-10 -1.535591762616172e-10 ] [ -5.366314351941311e-11 -3.280392544023168e-11 1.492401887449267e-10 ] [ -5.979480162134437e-10 6.591881734079442e-10 9.48663997853577e-10 ] [ -2.281131007396416e-11 -2.710097775849407e-11 1.607285962043731e-10 ] [ -8.979318762442558e-11 -5.649177032166931e-10 1.599653192622239e-10 ] [ 7.001414100122131e-10 -7.785729223478975e-10 -8.73729556428113e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.486294 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.884442750163532e-18 } }