{ "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" [ [ -0.43066709999999997 1.3988283999999997 -1.0929309999999997 ] [ -0.6465056999999998 2.5387635999999993 -0.17624749999999992 ] [ 1.3645250999999998 -1.6349570999999998 -0.6292091999999997 ] [ -0.15451109999999998 -0.6391501999999999 -0.10551619999999996 ] [ -4.080436299999999 5.497139799999999 4.569635299999998 ] [ 0.12428269999999998 -0.8598704999999999 1.1345514999999995 ] [ -0.25855619999999996 -1.5056559999999999 -0.2589128999999999 ] [ 4.081868699999999 -4.795098099999999 -3.4413700999999985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.900047589677357e-10 2.24117015899107e-09 -1.751068496347564e-09 ] [ -1.035816317753938e-09 4.067547685658042e-09 -2.823796239744479e-10 ] [ 2.186210213714782e-09 -2.619490041630968e-09 -1.008104269832271e-09 ] [ -2.475540720740908e-10 -1.024031507619644e-09 -1.690555887556569e-10 ] [ -6.537579642523652e-09 8.807388868829186e-09 7.321362843242392e-09 ] [ 1.991228363099001e-10 -1.377664412015606e-09 1.81775188839357e-09 ] [ -4.142526988028889e-10 -2.412326842167244e-09 -4.148241952035281e-10 ] [ 6.539874600315289e-09 -7.6825940702625e-09 -5.513682717740156e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -40.21588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.443294272089831e-18 } }