{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5159529 -6.0925947 1.8518082 ] [ -0.6617426 0.4917444 -2.8142593 ] [ -0.4282526 0.5505324 2.2863894 ] [ 3.4290985 6.0955347 -0.3521393 ] [ 0.6318199 -0.5196371 0.4302616 ] [ -0.4180858 0.5961831 -0.8343417 ] [ -0.0368845 -1.1217628 -0.5677189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.03100091541396e-09 -9.761412788349991e-09 2.966923804245731e-09 ] [ -1.060228522707406e-09 7.878613810893236e-10 -4.508940455328973e-09 ] [ -6.861363035168141e-10 8.82050140272914e-10 3.66319964272494e-09 ] [ 5.494021447120349e-09 9.766123187615142e-09 -5.641893537248774e-10 ] [ 1.012287072336194e-09 -8.325504129203117e-10 6.893550763480013e-10 ] [ -6.698472942484647e-10 9.551906245360684e-10 -1.336762765498527e-09 ] [ -5.90954835698976e-11 -1.797262132243146e-09 -9.095859487662932e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.614662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.982397626049417e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7482565 0.527518 2.6728686 ] [ 1.228396 2.3632918 2.6231921 ] [ 1.537954 2.7222923 4.9363438 ] [ 3.5255333 2.8470491 2.2088829 ] [ 3.0659724 0.8959828 5.0471133 ] [ 4.8299666 1.3330427 3.506251 ] [ 3.8432691 3.2155103 4.5831233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7482565e-10 5.27518e-11 2.6728686e-10 ] [ 1.228396e-10 2.3632918e-10 2.6231921e-10 ] [ 1.537954e-10 2.7222923e-10 4.936343800000001e-10 ] [ 3.5255333e-10 2.8470491e-10 2.2088829e-10 ] [ 3.0659724e-10 8.959828e-11 5.0471133e-10 ] [ 4.8299666e-10 1.3330427e-10 3.506251e-10 ] [ 3.8432691e-10 3.2155103e-10 4.5831233e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.83e-05 5e-06 1.69e-05 ] [ 8.3e-06 1.7e-05 1.4e-06 ] [ 1.6e-06 -2.79e-05 -6.7e-06 ] [ 8.3e-06 1.38e-05 -3.56e-05 ] [ 1.86e-05 -3.2e-06 8.2e-06 ] [ -3e-06 -1.16e-05 1.35e-05 ] [ -1.54e-05 6.8e-06 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.931983216064e-14 8.010883104e-15 2.707678489152e-14 ] [ 1.329806595264e-14 2.72370025536e-14 2.24304726912e-15 ] [ 2.56348259328e-15 -4.470072772032e-14 -1.073458335936e-14 ] [ 1.329806595264e-14 2.211003736704e-14 -5.703748770048e-14 ] [ 2.980048514688e-14 -5.126965186560001e-15 1.313784829056e-14 ] [ -4.8065298624e-15 -1.858524880128e-14 2.16293843808e-14 ] [ -2.467351996032e-14 1.089480102144e-14 3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }