{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7431053 0.8279018 1.281745 ] [ 0.1713918 2.933418 2.723094 ] [ 2.961963 0.6035464 1.099623 ] [ 2.097496 0.0517299 2.679965 ] [ 2.42244 2.174109 0.0336273 ] [ 2.772063 2.986847 1.877674 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.431053e-11 8.279018e-11 1.281745e-10 ] [ 1.713918e-11 2.933418e-10 2.723094e-10 ] [ 2.961963e-10 6.035464000000001e-11 1.099623e-10 ] [ 2.097496e-10 5.172990000000001e-12 2.679965e-10 ] [ 2.42244e-10 2.174109e-10 3.36273e-12 ] [ 2.772063e-10 2.986847e-10 1.877674e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.81243 1.9142746 -0.6343083 ] [ 2.2790477 -1.3903971 -1.6282299 ] [ 9.9298634 -4.842607 -4.1418792 ] [ -1.173538 -3.6181063 8.682389 ] [ -1.5049491 3.8541227 -6.8873994 ] [ -0.717994 4.0827131 4.6094278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.411906931843655e-08 3.067006009911272e-09 -1.016273928639393e-09 ] [ 3.651436942628012e-09 -2.22766172724812e-09 -2.608711879067522e-09 ] [ 1.59093949872176e-08 -7.758711719122427e-09 -6.636022020417808e-09 ] [ -1.88021514722039e-09 -5.796845325429191e-09 1.391072066849109e-08 ] [ -2.411194263514002e-09 6.174985283634573e-09 -1.103483029679195e-08 ] [ -1.150353200674675e-09 6.541227478253893e-09 7.385117456425578e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.8574552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.782501158023389e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2299125 1.1226932 0.9778071 ] [ 0.9196674 2.4274888 2.9257211 ] [ 3.5202094 0.8669379 1.5171301 ] [ 1.6913045 0.1235837 2.662653 ] [ 2.0588148 1.8660124 -0.1677419 ] [ 2.7485505 3.1708361 1.7801588 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.299125e-11 1.1226932e-10 9.778071000000001e-11 ] [ 9.196674000000001e-11 2.4274888e-10 2.9257211e-10 ] [ 3.5202094e-10 8.669379e-11 1.5171301e-10 ] [ 1.6913045e-10 1.235837e-11 2.662653e-10 ] [ 2.0588148e-10 1.8660124e-10 -1.677419e-11 ] [ 2.7485505e-10 3.1708361e-10 1.7801588e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -5.5e-06 -2e-07 ] [ -7.1e-06 1.3e-06 -1.6e-05 ] [ -4.1e-06 -1.26e-05 -1.24e-05 ] [ 8.6e-06 1.8e-06 1.36e-05 ] [ 1.6e-06 1.24e-05 9.7e-06 ] [ 3.3e-06 2.7e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 -8.8119714144e-15 -3.2043532416e-16 ] [ -1.137545400768e-14 2.08282960704e-15 -2.56348259328e-14 ] [ -6.568924145279999e-15 -2.018742542208e-14 -1.986699009792e-14 ] [ 1.377871893888e-14 2.88391791744e-15 2.178960204288e-14 ] [ 2.56348259328e-15 1.986699009792e-14 1.554111322176e-14 ] [ 5.28718284864e-15 4.32587687616e-15 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }