{ "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" [ [ -1.9526282 -6.0873281 0.4719048 ] [ 1.0439944 0.9927818 -3.7579433 ] [ 3.6905376 0.8543783 2.432324 ] [ 0.5025061 5.3639382 0.1460211 ] [ 5.9291724 1.8148548 -7.3785417 ] [ -6.1765288 -1.5995743 7.5797742 ] [ -3.0370534 -1.3390507 0.5064608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.128455251154786e-09 -9.752974764958886e-09 7.560748378032998e-10 ] [ 1.672663419926124e-09 1.590611789515742e-09 -6.020888897552e-09 ] [ 5.912893060903342e-09 1.368864937578849e-09 3.897012647010739e-09 ] [ 8.051035252293868e-10 8.593976379456035e-09 2.339515925634988e-10 ] [ 9.499581399972627e-09 2.90771793070666e-09 -1.182172700733789e-08 ] [ -9.895890041057878e-09 -2.562800546692525e-09 1.214413701418302e-08 ] [ -4.865895953601151e-09 -2.145395725605875e-09 8.114396531116648e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4681084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.51695819216801e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.4684374 0.0718876 1.3173646 ] [ 1.2712246 3.1415639 2.8902637 ] [ 2.103865 2.8911282 4.9239003 ] [ 2.4151116 2.0183602 1.361546 ] [ 3.1226449 0.9218912 5.0566923 ] [ 5.0681992 0.3932081 4.1631633 ] [ 3.3298653 4.4666478 5.8648449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4684374e-10 7.18876e-12 1.3173646e-10 ] [ 1.2712246e-10 3.1415639e-10 2.8902637e-10 ] [ 2.103865e-10 2.8911282e-10 4.9239003e-10 ] [ 2.4151116e-10 2.0183602e-10 1.361546e-10 ] [ 3.1226449e-10 9.218912e-11 5.056692300000001e-10 ] [ 5.0681992e-10 3.932081e-11 4.1631633e-10 ] [ 3.3298653e-10 4.4666478e-10 5.8648449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.8963468 1.7873535 -0.1581674 ] [ 0.9478321 -0.855369 -0.8898609 ] [ 0.7424313 -0.6398242 0.0177265 ] [ -0.0653851 -1.0943655 0.8983158 ] [ 0.135122 0.9172846 -0.3458933 ] [ -0.527153 -0.1507213 0.346443 ] [ -0.3365003 0.0356419 0.1314363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.436105887088894e-09 2.863655990805053e-09 -2.534121104527219e-10 ] [ 1.518594431063768e-09 -1.370452213957075e-09 -1.425714329744047e-09 ] [ 1.189506071410151e-09 -1.025111374662063e-09 2.84009838686112e-11 ] [ -1.047584785686701e-10 -1.753366818710103e-09 1.439260572855249e-09 ] [ 2.164893093557376e-10 1.46965194073988e-09 -5.541821585513607e-10 ] [ -8.445922121845824e-10 -2.414821431165831e-10 5.550628750398144e-10 ] [ -5.391329135521862e-10 5.710461890089152e-11 2.10584166984455e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.783996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.368657275320072e-18 } }