{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.686624 -1.6568936 0.1067449 ] [ -3.3304846 -6.2453263 5.7263147 ] [ 1.1312001 6.7916272 -3.536453 ] [ 2.1219644 -1.0063729 0.3858309 ] [ 0.8902646 1.3764144 0.0191155 ] [ -4.0729144 0.2739281 3.0057163 ] [ 2.5733459 0.4666231 -5.7072693 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.100092920080179e-09 -2.654636189073147e-09 1.710241831696339e-10 ] [ -5.33602456205444e-09 -1.000611578712737e-08 9.174567535683364e-09 ] [ 1.812382353666622e-09 1.088138631702936e-08 -5.666022317158022e-09 ] [ 3.3997617518499e-09 -1.612387132186696e-09 6.181692475622226e-10 ] [ 1.426361128445864e-09 2.20525897221246e-09 3.06264071949024e-11 ] [ -6.52552823019966e-09 4.388811976001645e-10 4.815688384617479e-09 ] [ 4.122954638211535e-09 7.476126215452205e-10 -9.144053441069581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.315606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.934483572898421e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.014311 1.2277588 1.8019048 ] [ 1.7606451 1.9894423 3.8164568 ] [ 2.8878059 3.6594042 2.3585118 ] [ 5.0913628 2.6136846 1.8634318 ] [ 4.225485 2.6347892 4.2207675 ] [ 3.3216487 0.4392625 4.8353214 ] [ 5.0024256 0.451023 3.0881158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.014311000000001e-10 1.2277588e-10 1.8019048e-10 ] [ 1.7606451e-10 1.9894423e-10 3.8164568e-10 ] [ 2.8878059e-10 3.6594042e-10 2.3585118e-10 ] [ 5.0913628e-10 2.6136846e-10 1.8634318e-10 ] [ 4.225485e-10 2.6347892e-10 4.2207675e-10 ] [ 3.3216487e-10 4.392625e-11 4.8353214e-10 ] [ 5.0024256e-10 4.51023e-11 3.088115800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.46e-05 -4.24e-05 -7.18e-05 ] [ -1.57e-05 1.9e-06 7.8e-06 ] [ -1.03e-05 7.5e-06 -3.2e-06 ] [ 4e-07 -5.5e-06 -3.3e-06 ] [ 4.29e-05 5.07e-05 8.62e-05 ] [ 1.2e-06 7.2e-06 -2.02e-05 ] [ 1.62e-05 -1.95e-05 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.543531107968001e-14 -6.793228872192001e-14 -1.1503628137344e-13 ] [ -2.515417294656e-14 3.04413557952e-15 1.249697764224e-14 ] [ -1.650241919424e-14 1.2016324656e-14 -5.126965186560001e-15 ] [ 6.408706483200001e-16 -8.8119714144e-15 -5.28718284864e-15 ] [ 6.873337703232e-14 8.123035467456e-14 1.3810762471296e-13 ] [ 1.92261194496e-15 1.153567166976e-14 -3.236396774016e-14 ] [ 2.595526125696e-14 -3.12424441056e-14 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.385491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586551032532881e-18 } }