{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9578082 -1.099138 -0.4060513 ] [ 0.5236829 -3.0046283 4.2298411 ] [ -1.5012166 3.8622265 -4.5397542 ] [ -0.5979501 0.9917875 1.2603453 ] [ -0.209847 0.1922777 -1.2963997 ] [ -0.5364195 -1.3818433 0.7187432 ] [ 1.3639422 0.4393178 0.0332757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.53457790525053e-09 -1.76101320663287e-09 -6.505658997054471e-10 ] [ 8.390324990927443e-10 -4.813945216454048e-09 6.776952520118955e-09 ] [ -2.405214139276865e-09 6.187969002534211e-09 -7.273488043418607e-09 ] [ -9.580216706250222e-10 1.58901874530168e-09 2.019295773795162e-09 ] [ -3.362119573450176e-10 3.080628356411962e-10 -2.077061290552134e-09 ] [ -8.594387818412257e-10 -2.213957028869121e-09 1.151553551398979e-09 ] [ 2.185276304962518e-09 7.038647082612902e-10 5.331354858075456e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -6.940412085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.111976598222196e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0939927 2.2520951 2.2366939 ] [ 2.5164253 2.8883561 4.4262762 ] [ 2.0580155 4.3351852 2.5833389 ] [ 5.3764104 2.3939939 1.7803807 ] [ 4.8263795 2.9225365 3.9839909 ] [ 4.3367128 4.4680233 2.0153846 ] [ 3.6798197 4.9628319 4.2190907 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0939927e-10 2.2520951e-10 2.2366939e-10 ] [ 2.5164253e-10 2.8883561e-10 4.4262762e-10 ] [ 2.0580155e-10 4.3351852e-10 2.5833389e-10 ] [ 5.3764104e-10 2.3939939e-10 1.7803807e-10 ] [ 4.8263795e-10 2.9225365e-10 3.9839909e-10 ] [ 4.3367128e-10 4.4680233e-10 2.0153846e-10 ] [ 3.6798197e-10 4.9628319e-10 4.2190907e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-05 -2.9e-06 2.36e-05 ] [ -1.1e-06 2.8e-06 -2.13e-05 ] [ 1.98e-05 -7.9e-06 1.79e-05 ] [ 3.52e-05 -1.3e-05 -2.68e-05 ] [ -1.81e-05 1.6e-05 2.8e-06 ] [ 1e-06 6.8e-06 -9e-07 ] [ -8.8e-06 -1.7e-06 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-14 -4.646312200320001e-15 3.781136825088e-14 ] [ -1.76239428288e-15 4.48609453824e-15 -3.412636202304e-14 ] [ 3.172309709184e-14 -1.265719530432e-14 2.867896151232001e-14 ] [ 5.639661705216e-14 -2.08282960704e-14 -4.293833343744e-14 ] [ -2.899939683648e-14 2.56348259328e-14 4.48609453824e-15 ] [ 1.6021766208e-15 1.089480102144e-14 -1.44195895872e-15 ] [ -1.409915426304e-14 -2.72370025536e-15 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }