{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5300508 -4.1974562 1.0969623 ] [ -1.7795271 2.1924124 -4.3802472 ] [ 0.5052163 2.2187354 6.4347084 ] [ 11.7992954 -34.6331982 -47.5127075 ] [ 0.2653512 1.0184839 67.7781448 ] [ -7.260285 33.4010227 -23.4168609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655764908593007e-09 -6.725066245878431e-09 1.757527365438898e-09 ] [ -2.851116739189781e-09 3.512631919371861e-09 -7.017929714983925e-09 ] [ 8.094457509759341e-10 3.554806014908643e-09 1.030953944508353e-08 ] [ 1.890455538754368e-08 -5.548850091673086e-08 -7.612374977457655e-08 ] [ 4.251394924438608e-10 1.631791106685193e-09 1.085925598944286e-07 ] [ -1.163225898318069e-08 5.351433812164359e-08 -3.751794737560821e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.745818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.881887514681661e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.206907 0.9162819 1.7044244 ] [ -0.0090574 2.6912103 -0.0312172 ] [ 0.7406684 2.0468699 3.8599559 ] [ 2.5522937 0.5672394 1.1947408 ] [ 3.2785394 1.6692586 3.3084047 ] [ 2.5287943 2.3134577 -0.5827922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06907e-11 9.162819e-11 1.7044244e-10 ] [ -9.0574e-13 2.6912103e-10 -3.12172e-12 ] [ 7.406684000000001e-11 2.0468699e-10 3.8599559e-10 ] [ 2.5522937e-10 5.672394e-11 1.1947408e-10 ] [ 3.2785394e-10 1.6692586e-10 3.3084047e-10 ] [ 2.5287943e-10 2.3134577e-10 -5.827922000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.93e-05 -4.7e-06 2.2e-06 ] [ 2.78e-05 -2.9e-05 5.2e-06 ] [ 1.4e-06 2.33e-05 1.5e-06 ] [ 5.7e-06 0.0 -3.31e-05 ] [ 3.9e-06 -5.5e-06 1.7e-06 ] [ -9.4e-06 1.59e-05 2.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.69437753762e-14 -7.530230179799999e-15 3.5247885948e-15 ] [ 4.454051042519999e-14 -4.6463122386e-14 8.331318496799998e-15 ] [ 2.2430472876e-15 3.733071557219999e-14 2.403264951e-15 ] [ 9.1324068138e-15 0.0 -5.303204658539999e-14 ] [ 6.248488872599999e-15 -8.811971486999999e-15 2.7237002778e-15 ] [ -1.50604603596e-14 2.54746084806e-14 3.6048974265e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949841671799e-18 } }