{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9530778 -3.7692673 -11.9217191 ] [ -10.6609552 -4.0980544 -1.1899969 ] [ -10.1067431 9.0007804 3.2738876 ] [ -4.871569 -17.537808 -0.5724174 ] [ 12.58366 10.9659916 -5.2239523 ] [ 9.259906 0.5450347 8.6195132 ] [ 4.7487791 4.893323 7.014685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.526998981544125e-09 -6.039031995360268e-09 -1.910069977913151e-08 ] [ -1.708073331756079e-08 -6.565807004540889e-09 -1.906585227712434e-09 ] [ -1.619278764066072e-08 1.442084004464517e-08 5.245346215062337e-09 ] [ -7.805114022718745e-09 -2.809866618917827e-08 -9.171137831750314e-10 ] [ 2.016124602220044e-08 1.756945551016027e-08 -8.369694312190556e-09 ] [ 1.483600502623641e-08 8.732418610591997e-10 1.380998264549457e-08 ] [ 7.608382914047549e-09 7.83996777321478e-09 1.123876440187029e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.865347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.381691161970199e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6445588 1.7598286 1.0097754 ] [ 1.7671293 0.8379387 3.4362157 ] [ 1.9447458 3.4009433 2.9272228 ] [ 4.1857767 0.010843 2.4495901 ] [ 5.1288888 2.3120998 1.6284022 ] [ 3.9737831 1.0984597 4.8227207 ] [ 4.3217085 3.3671616 3.7739361 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6445588e-10 1.7598286e-10 1.0097754e-10 ] [ 1.7671293e-10 8.379387e-11 3.4362157e-10 ] [ 1.9447458e-10 3.4009433e-10 2.9272228e-10 ] [ 4.1857767e-10 1.0843e-12 2.4495901e-10 ] [ 5.1288888e-10 2.3120998e-10 1.6284022e-10 ] [ 3.9737831e-10 1.0984597e-10 4.822720699999999e-10 ] [ 4.3217085e-10 3.3671616e-10 3.7739361e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 3.15e-05 3.8e-06 ] [ -1.14e-05 3.59e-05 8.4e-06 ] [ 1.68e-05 -5.71e-05 -3.9e-06 ] [ 2.6e-05 2.52e-05 2.57e-05 ] [ -8.1e-06 5.6e-06 -3.59e-05 ] [ -2.23e-05 -1.62e-05 1.65e-05 ] [ -3.1e-06 -2.49e-05 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.364570931399999e-15 5.046856397099999e-14 6.088271209199999e-15 ] [ -1.82648136276e-14 5.751814116059999e-14 1.34582837256e-14 ] [ 2.691656745119999e-14 -9.148428580139999e-14 -6.248488872599999e-15 ] [ 4.165659248399999e-14 4.037485117679999e-14 4.11759394938e-14 ] [ -1.29776307354e-14 8.972189150399999e-15 -5.751814116059999e-14 ] [ -3.572853893819999e-14 -2.59552614708e-14 2.6435914461e-14 ] [ -4.9667475654e-15 -3.989419818659999e-14 -2.33917788564e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.8522980120921e-18 } }