{ "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" [ [ -0.37925469999999994 1.6664189999999999 -1.0543282999999997 ] [ 0.23406509999999997 2.0907673999999994 -0.31815039999999983 ] [ 0.3725572999999999 -0.7957517999999999 -0.9895921999999996 ] [ -0.34511569999999997 -0.9945820999999999 -0.14308919999999994 ] [ -6.473033399999999 7.1801531999999995 7.318946699999996 ] [ 0.26982199999999995 -0.9928036999999998 1.3425778999999993 ] [ -0.16766009999999998 -0.8781050999999999 0.4737675999999998 ] [ 6.488619399999999 -7.276096999999999 -6.630131999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.076330136685177e-10 2.669897562256915e-09 -1.689220152907808e-09 ] [ 3.75013630965214e-10 3.349778647810801e-09 -5.097331327781681e-10 ] [ 5.969025959683717e-10 -1.274934929919517e-09 -1.585501486966037e-09 ] [ -5.529363060110265e-10 -1.593496188086168e-09 -2.292541709289753e-10 ] [ -1.037094277913753e-08 1.150387359080231e-08 1.17262452916213e-08 ] [ 4.323025001774975e-10 -1.590646877183737e-09 2.151046922982759e-09 ] [ -2.686210924609901e-10 -1.406879461825246e-09 7.590593724125258e-10 ] [ 1.039591430394932e-08 -1.165759250407302e-08 -1.062264248321794e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.185598 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.477136588366724e-18 } }