{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1501776 0.7389508 1.254214 ] [ 0.5251994 1.126951 2.894489 ] [ 1.795844 1.050789 0.3566565 ] [ 2.560887 2.159455 0.963327 ] [ 1.607121 2.890729 1.590789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.501776e-11 7.389508e-11 1.254214e-10 ] [ 5.251994e-11 1.126951e-10 2.894489e-10 ] [ 1.795844e-10 1.050789e-10 3.566565e-11 ] [ 2.560887e-10 2.159455e-10 9.633270000000001e-11 ] [ 1.607121e-10 2.890729e-10 1.590789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5657214 -4.7423807 -5.7213826 ] [ -0.9446406 1.1593153 12.3339351 ] [ -1.7271563 -12.1016725 -12.4654481 ] [ 26.9652049 0.1943366 -6.0554527 ] [ -15.7276866 15.4904012 11.9083483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.372379868043376e-08 -7.598131547072563e-09 -9.166665515894167e-09 ] [ -1.51348109684774e-09 1.8574278850987e-09 1.976114262249245e-08 ] [ -2.767209467125894e-09 -1.938901691182036e-08 -1.997184967815969e-08 ] [ 4.32030212218023e-08 3.113615596510044e-10 -9.70190482423221e-09 ] [ -2.51985319773949e-08 2.481835885392556e-08 1.907927739579362e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.124249767310327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.812129877964543e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1680687 1.1070172 1.2580258 ] [ 1.4012266 0.8547983 3.0330027 ] [ 1.785445 0.6400685 -0.0236114 ] [ 2.8237619 2.0797301 1.565769 ] [ 0.7968642 3.2852608 1.2262893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.680687e-11 1.1070172e-10 1.2580258e-10 ] [ 1.4012266e-10 8.547983e-11 3.0330027e-10 ] [ 1.785445e-10 6.400685000000001e-11 -2.36114e-12 ] [ 2.8237619e-10 2.0797301e-10 1.565769e-10 ] [ 7.968642e-11 3.2852608e-10 1.2262893e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.08e-05 3e-06 -4.4e-06 ] [ -4.4e-06 4.6e-06 -2.29e-05 ] [ 5.4e-06 -1.5e-06 3.01e-05 ] [ -3.25e-05 6.8e-06 -2.25e-05 ] [ 2.08e-05 -1.29e-05 1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.73035076472e-14 4.806529901999999e-15 -7.0495771896e-15 ] [ -7.0495771896e-15 7.370012516399999e-15 -3.66898449186e-14 ] [ 8.6517538236e-15 -2.403264951e-15 4.82255166834e-14 ] [ -5.207074060499999e-14 1.08948011112e-14 -3.6048974265e-14 ] [ 3.332527398719999e-14 -2.06680785786e-14 3.140266202639999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }