{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2308429 -4.9678993 -4.801755 ] [ -6.398071 4.3452218 3.597166 ] [ -1.8769178 -3.0742507 4.8636728 ] [ 1.1214268 1.18849 -3.7250372 ] [ 0.9548407 1.5294058 2.0348917 ] [ 3.3955627 -2.0105279 -2.6534714 ] [ 1.5723158 2.9895602 0.6845332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.972027718257673e-09 -7.959452112948686e-09 -7.693259599809503e-09 ] [ -1.025083977441848e-08 6.961812780150494e-09 5.763295266336652e-09 ] [ -3.00715381832337e-09 -4.925492598018035e-09 7.792462851380875e-09 ] [ 1.796723800898558e-09 1.904170892054592e-09 -5.968167513450294e-09 ] [ 1.529823446128307e-09 2.450378216475921e-09 3.260255907599968e-09 ] [ 5.440291172400525e-09 -3.22122079684612e-09 -4.251329841041445e-09 ] [ 2.519127615274449e-09 4.789803458914173e-09 1.09674308920141e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.778171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.726853359118456e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.151861 1.7254536 1.6659561 ] [ 1.3105325 2.8946981 3.4370595 ] [ 2.692953 1.6323829 4.743673 ] [ 3.8360991 3.4018647 1.4205559 ] [ 4.3772036 3.308777 4.4982458 ] [ 4.3100684 1.4349744 2.8655616 ] [ 2.9307004 4.5073322 3.2009941 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.151861e-10 1.7254536e-10 1.6659561e-10 ] [ 1.3105325e-10 2.8946981e-10 3.4370595e-10 ] [ 2.692953e-10 1.6323829e-10 4.743673000000001e-10 ] [ 3.8360991e-10 3.4018647e-10 1.4205559e-10 ] [ 4.3772036e-10 3.308777e-10 4.4982458e-10 ] [ 4.3100684e-10 1.4349744e-10 2.8655616e-10 ] [ 2.9307004e-10 4.5073322e-10 3.2009941e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 8.4e-06 2.95e-05 ] [ 3.08e-05 -1.83e-05 -1.07e-05 ] [ -7e-06 -5.3e-06 -2.23e-05 ] [ -7.9e-06 -2.2e-06 -1.35e-05 ] [ -8.6e-06 9.2e-06 2.14e-05 ] [ 1.5e-06 -1.51e-05 -2.2e-06 ] [ 2e-06 2.34e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.730350750464e-14 1.345828361472e-14 4.72642103136e-14 ] [ 4.934703992064001e-14 -2.931983216064e-14 -1.714328984256e-14 ] [ -1.12152363456e-14 -8.491536090240001e-15 -3.572853864384e-14 ] [ -1.265719530432e-14 -3.52478856576e-15 -2.16293843808e-14 ] [ -1.377871893888e-14 1.474002491136e-14 3.428657968511999e-14 ] [ 2.4032649312e-15 -2.419286697408e-14 -3.52478856576e-15 ] [ 3.2043532416e-15 3.749093292672001e-14 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }